gt4sd

View on PyPIReverse Dependencies (0)

1.4.3 gt4sd-1.4.3-py3-none-any.whl

Wheel Details

Project: gt4sd
Version: 1.4.3
Filename: gt4sd-1.4.3-py3-none-any.whl
Download: [link]
Size: 633907
MD5: a6d13dfc6b8f7596f8ce3020ebb5000f
SHA256: d02451e80ac5408c1e09f7aaa9012123d38d8f2cafa36c68b7eeaf7539d456d7
Uploaded: 2024-09-12 13:44:36 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: gt4sd
Version: 1.4.3
Summary: Generative Toolkit for Scientific Discovery (GT4SD).
Author: GT4SD team
Keywords: GT4SD Generative Models Inference Training
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Requires-Dist: accelerate
Requires-Dist: datasets
Requires-Dist: diffusers
Requires-Dist: enzeptional
Requires-Dist: importlib-metadata
Requires-Dist: importlib-resources
Requires-Dist: ipaddress
Requires-Dist: joblib
Requires-Dist: gt4sd-molformer
Requires-Dist: gt4sd-trainer-hf-pl
Requires-Dist: keras
Requires-Dist: keybert
Requires-Dist: minio
Requires-Dist: modlamp
Requires-Dist: molecule-generation
Requires-Dist: molgx
Requires-Dist: nglview
Requires-Dist: numpy
Requires-Dist: pytorch-lightning
Requires-Dist: pyarrow
Requires-Dist: pydantic
Requires-Dist: pymatgen
Requires-Dist: pyTDC (!=0.3.8)
Requires-Dist: pyyaml
Requires-Dist: rdkit
Requires-Dist: regex
Requires-Dist: reinvent-chemistry
Requires-Dist: sacremoses
Requires-Dist: scikit-learn
Requires-Dist: scikit-optimize
Requires-Dist: scipy
Requires-Dist: sentencepiece
Requires-Dist: sympy
Requires-Dist: tables
Requires-Dist: tape-proteins
Requires-Dist: tensorboard
Requires-Dist: tensorflow
Requires-Dist: torch
Requires-Dist: torchdrug
Requires-Dist: torchmetrics
Requires-Dist: torchvision
Requires-Dist: transformers (<4.26.0)
Requires-Dist: typing-extensions
Requires-Dist: wheel
Requires-Dist: xgboost
Requires-Dist: cogmol-inference; extra == "extras"
Provides-Extra: extras
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 18204 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (74.1.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
gt4sd/__init__.py sha256=Lr22sCptorrb0UmXrEB6Bctu4Vw4qT0scqCu_mZdJh8 1512
gt4sd/configuration.py sha256=5A8yjoVQKxfvJ67qAKcVprO3HMSOMyLg3CuobVBLriM 12417
gt4sd/conftest.py sha256=-CyCltphplY_cL5skQkPh0D-ZBXciJS1KLWfaj6ar-A 1394
gt4sd/exceptions.py sha256=NQgdIdRl9oVR5qRuFKxy8aDh3gxHDUveYP3jeOMucYs 3746
gt4sd/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
gt4sd/s3.py sha256=Xfg4RmC99g8gZ8WxWsenZ2gFxCSABfItPz1x7bmZeKE 8377
gt4sd/algorithms/__init__.py sha256=9KyI3hWuFpkQP4RFl3uiiMuxI1XuVTIrm7WyUvDBWLw 3243
gt4sd/algorithms/core.py sha256=0KtSDf6AWfb_JsCS5_tYppfFdzzlevVkdHFqCdKlLgs 35024
gt4sd/algorithms/registry.py sha256=z8d0nMyfxCjze0vdCbcBiVUIs2YXK8PrZr_kMslskS8 14366
gt4sd/algorithms/conditional_generation/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/conditional_generation/guacamol/__init__.py sha256=RZGalwZlQfo0RRMy-fJjbKFnzykWxGP010OQ2CBCzOQ 1644
gt4sd/algorithms/conditional_generation/guacamol/core.py sha256=2W63HCv2-HNUM-4Zg-OVOYcAI8VNATsBRpcpS5d132U 29460
gt4sd/algorithms/conditional_generation/guacamol/implementation/__init__.py sha256=oYWz4x_ueZzWevj4_Mp00MshlJ98tIV82cYUEzztvDI 22153
gt4sd/algorithms/conditional_generation/guacamol/implementation/graph_ga.py sha256=QahtKdhq8yJH0KJv2rkSGJhAAKyH1ZJzjjZa9KhqKlA 3165
gt4sd/algorithms/conditional_generation/guacamol/implementation/graph_mcts.py sha256=XsS5_2Y8HsQXzehvTcg6z-R6_J5656O01fttZ8dKJYA 3458
gt4sd/algorithms/conditional_generation/guacamol/implementation/moses_aae.py sha256=zap-K9LIXEDRfhDRwEAccfh131J6SKOR0GJ7WXXCgWk 2444
gt4sd/algorithms/conditional_generation/guacamol/implementation/moses_organ.py sha256=sZVH8NeyHCjwivizbNkaCAI7-YTF7DsmE5QiemoPXS4 2471
gt4sd/algorithms/conditional_generation/guacamol/implementation/moses_vae.py sha256=zt1or7-npasB34bGweuyS9NOkakL9ouLHV3T5zjm89E 2572
gt4sd/algorithms/conditional_generation/guacamol/implementation/smiles_ga.py sha256=LwFtp4t3Cztdrn4x6lGbw9kkWJVzZZB0nvMyqfiU1Xc 3138
gt4sd/algorithms/conditional_generation/guacamol/implementation/smiles_lstm_hc.py sha256=c3Ox_i1Koe6_RgstjfzMEAJ08NaYQZqNgAHH5jDEwhs 3707
gt4sd/algorithms/conditional_generation/guacamol/implementation/smiles_lstm_ppo.py sha256=DRlSimg2TIWc-9QnCZ90yDAU1shfElSPV7s2qlrl_54 3016
gt4sd/algorithms/conditional_generation/key_bert/__init__.py sha256=w-kWT001OKzww7DbnE5BoT6oJP_54FmLUj6wuUeLN0o 1300
gt4sd/algorithms/conditional_generation/key_bert/core.py sha256=JdqMgtXTQiH5UVXLKQnnmrxKYk4bKcDrwNuzSCe44d8 7418
gt4sd/algorithms/conditional_generation/key_bert/implementation.py sha256=Z3cu0XmXxACwvlfcVSeA-xWuCx5n08Ja6La3H5rF7A0 4660
gt4sd/algorithms/conditional_generation/molgx/__init__.py sha256=XO5qMafzyxjiBZQUt3Xc3xMegpxWDgrg-Lu_XqmrYCs 1328
gt4sd/algorithms/conditional_generation/molgx/core.py sha256=Qk9fPpGZqf8SkFix4CxN8gmvo0IhiX5NqQn5eCtJRoc 8860
gt4sd/algorithms/conditional_generation/molgx/implementation.py sha256=hSEAqcWrga_EfTB3IUp_7AKHXH17OwEzEqSmBGdGKDU 9537
gt4sd/algorithms/conditional_generation/paccmann_rl/__init__.py sha256=6lj_TGxybJBfX9oMFSG9RDHN9mgTCZUZoPlvGoRLz1E 1360
gt4sd/algorithms/conditional_generation/paccmann_rl/core.py sha256=sws5t6GV6rRxh0iS0JQg0BV9vk6Vb11Hjh380A5trq0 10151
gt4sd/algorithms/conditional_generation/paccmann_rl/implementation.py sha256=x9XRftD70WIBzhsZo2XtRKc27gh-2yi_Lt8Ut0TOgy8 14210
gt4sd/algorithms/conditional_generation/regression_transformer/__init__.py sha256=gBvzgxFJuQk2erGF_FuzqN-tVe83RfRxRF_hy1fE728 1393
gt4sd/algorithms/conditional_generation/regression_transformer/core.py sha256=vYpuf-1ZXTvW0StUKvEKTEZJz2E3vWz2zrRdeSEHGSw 20484
gt4sd/algorithms/conditional_generation/regression_transformer/implementation.py sha256=594p45yXFnbv8t2b5FJD4uR66EZMvzqEP-MZ704hpZM 53256
gt4sd/algorithms/conditional_generation/regression_transformer/utils.py sha256=bfh5XuEJldPCT2GTkLRelC6HvC_bsfhcLq_lQDAK7Jk 3497
gt4sd/algorithms/conditional_generation/reinvent/__init__.py sha256=kh8GbV6NjsO4ohzLku7EN0Znn6XN8HUPSxuBFWnneiE 1232
gt4sd/algorithms/conditional_generation/reinvent/core.py sha256=hhnYq5EP83PQPziLL6e1TazjuB2fO4mbTlKWAA-yglM 6332
gt4sd/algorithms/conditional_generation/reinvent/implementation.py sha256=JOdY27G2WYE3FXbWLG8kKiwZZfqecCyDTEyH91b1fFQ 5274
gt4sd/algorithms/conditional_generation/reinvent/reinvent_core/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/conditional_generation/reinvent/reinvent_core/core.py sha256=6dGiy2kO27cl6HN-qp9W6oagyprvsi82B4oMH4NqXWk 5605
gt4sd/algorithms/conditional_generation/template/__init__.py sha256=FwXNYmFiSfHv-D3qHv17ksmJxxB312bFwnWUTwGTPWw 1243
gt4sd/algorithms/conditional_generation/template/core.py sha256=wY01fxS4oNSQNEAvssYuLjdk9h8aLMlR5Nazh19CEag 4716
gt4sd/algorithms/conditional_generation/template/implementation.py sha256=M2ZSSWrL_3UpxOQTO5Iv0sshE3yfWDGMTOcsZ_A5crY 2038
gt4sd/algorithms/conditional_generation/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/conditional_generation/tests/test_guacamol.py sha256=eTunm68OkztGW07pmmzR2vdQHXJlqB-1bgBMH7JvwFU 8073
gt4sd/algorithms/conditional_generation/tests/test_key_bert.py sha256=mvB0QoiOgl06SL0IcNaGF4uLJG2NGj8RKjvybfaUl30 3988
gt4sd/algorithms/conditional_generation/tests/test_molgx.py sha256=jhM84AFnIQLpK99TAPZYDtXyXhdjozrZuIDfodpxRAE 4019
gt4sd/algorithms/conditional_generation/tests/test_moses.py sha256=szX-amhBIg6siWDZN24S8-QpeOspJ3WddHW27bBXI04 4597
gt4sd/algorithms/conditional_generation/tests/test_paccmann_rl.py sha256=LHtxoMqPiKAljWnUnll-zJ55_Jugy0U4-vmcZ2bvbLQ 5606
gt4sd/algorithms/conditional_generation/tests/test_regression_transformer.py sha256=VSileu0y5ugye9RQ2jls6LysfEI1uIXuQVL1ReoD1TE 14669
gt4sd/algorithms/conditional_generation/tests/test_reinvent.py sha256=9AhI0E5xDfAs2ikck4U_XtjFEZBSRabUBMdYt_u-UfY 3962
gt4sd/algorithms/controlled_sampling/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/controlled_sampling/advanced_manufacturing/__init__.py sha256=8Hu3eyzOSoQAwz72z3aQaEIHby7ZBFZiUcy2M4qvzTQ 1271
gt4sd/algorithms/controlled_sampling/advanced_manufacturing/core.py sha256=e-gXIrZoAwwSRjA2opJKaVCszsJbjYUyaX_PNaWiOGo 6803
gt4sd/algorithms/controlled_sampling/advanced_manufacturing/implementation/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/controlled_sampling/advanced_manufacturing/implementation/core.py sha256=ychTLOwa0Ncvtx5AJooAYxjswDKslZLIsp7-uuNTjzE 19840
gt4sd/algorithms/controlled_sampling/advanced_manufacturing/implementation/nccr/__init__.py sha256=NYbgslVLsYa8LD4dpOV9BeVYcCRB1kvf744z_9mpvHo 1256
gt4sd/algorithms/controlled_sampling/advanced_manufacturing/implementation/nccr/core.py sha256=t6ua0L2CUk_ivzVk7OdUGtXKHDp9LzVG1UkPu94cKaU 9433
gt4sd/algorithms/controlled_sampling/class_controlled_sampling/__init__.py sha256=3V60WyP-zbjzzPtW11i6rlXr0w4WDfoEEdPI4FuSPd4 1483
gt4sd/algorithms/controlled_sampling/class_controlled_sampling/core.py sha256=Sh_mZmf11RbqyEceMcLJIliKMbX4ScgWBugnBC4g0ic 8646
gt4sd/algorithms/controlled_sampling/paccmann_gp/__init__.py sha256=KD4VM68uEHFZgCAwhnm9XojRh92EFFAj_S7UYsDN8F0 1242
gt4sd/algorithms/controlled_sampling/paccmann_gp/core.py sha256=MGlcFCPLg9zsVKTTHiy14u9U6EDOcVGpG5vCGjv59HE 11756
gt4sd/algorithms/controlled_sampling/paccmann_gp/implementation.py sha256=NRXxcHJXdycEfAISPhLfi2IhMzje25u1lXiojnjXpEU 13448
gt4sd/algorithms/controlled_sampling/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/controlled_sampling/tests/test_advanced_manufacturing.py sha256=tQrrmq1np0L9bVo89wqI6GTLbLfsEh9hE9k1ibme0dQ 5248
gt4sd/algorithms/controlled_sampling/tests/test_class_controlled_sampling.py sha256=j2pnpbbzApOh5clkfsq3R1JCpjIDxdVE5KKck9WYIyA 6710
gt4sd/algorithms/controlled_sampling/tests/test_paccmann_gp.py sha256=hLp8afQibxCbUz1re0aQqR45npwYuwpzQi8l3SECfFE 5251
gt4sd/algorithms/generation/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/generation/diffusion/__init__.py sha256=hn_OvabYjPA1wOWpFU4c_W7lYLvfwFzLt0hipceOxwE 1628
gt4sd/algorithms/generation/diffusion/core.py sha256=0SObDFXWMlQoNVxW0fUStohHceCMwfG4v4sFVXIwk28 12649
gt4sd/algorithms/generation/diffusion/implementation.py sha256=kJwjNeYRUKWIT445GZXtfBfIayLyXSmQlCXzT-K1NW8 5393
gt4sd/algorithms/generation/diffusion/geodiff/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/generation/diffusion/geodiff/core.py sha256=07hGO7_1BOCoMRIDaGHFrTn5zVUvrvDbSCjJm8jDJvI 9550
gt4sd/algorithms/generation/diffusion/geodiff/model/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/generation/diffusion/geodiff/model/core.py sha256=vqTo4KCJ5hpMqY2cjkCFROCbhKFK_MtbgGYRdnIu0Wg 12122
gt4sd/algorithms/generation/diffusion/geodiff/model/layers.py sha256=bFMhYIj7_mRdmRFH8Kx-q9blyvOGZ8x4WltwQLxKTH4 15380
gt4sd/algorithms/generation/diffusion/geodiff/model/utils.py sha256=mie7Mm_oxQXbFRaECIxoi79UbxcbtacbMUnvpSQ5Rjg 8694
gt4sd/algorithms/generation/hugging_face/__init__.py sha256=_QLAtcBaUBNzNrcFHr9uaMDbW7M547kJz_IqCYNPk3E 1734
gt4sd/algorithms/generation/hugging_face/core.py sha256=tAbpvBA7S75sNFqjszK3tFmBeq1PIL9ssXRSCC29LS4 12564
gt4sd/algorithms/generation/hugging_face/implementation.py sha256=QLIi-b_BNRJ4Pp5iQgo7vc9j3irNLkEa9pT3vAgngJA 10931
gt4sd/algorithms/generation/moler/__init__.py sha256=WUebGQNvq3QyFoTGXPJM7PkuLqCDlAT8vLOSKWoM23Q 1336
gt4sd/algorithms/generation/moler/core.py sha256=FtpNdmOqHJ-Xm7BWb1tsg6TqMCWmEFn8amuh5KQQ0W0 6794
gt4sd/algorithms/generation/moler/implementation.py sha256=7tVM8lzmq5koCnhZR3L8Lwat1lTJQdJbMANUk6lJ0L8 4599
gt4sd/algorithms/generation/paccmann_vae/__init__.py sha256=D7BhUhezmmjFxRHZQwHOc9VhSPF0ygB0cI4NMPoNY0Y 1247
gt4sd/algorithms/generation/paccmann_vae/core.py sha256=FzwZJdme4NFjc6WHJmDKK0IG_940h8P_oAvwwgTrDL8 5416
gt4sd/algorithms/generation/paccmann_vae/implementation.py sha256=WYqRXpCzkY9LzSnX1fZ4QeDp_EjTDEfTzYloZRrvGD8 3894
gt4sd/algorithms/generation/pgt/__init__.py sha256=uSgc0JP0SElAv_UYKnap2s_NZZlNSHfavyqkVYLs7uM 1274
gt4sd/algorithms/generation/pgt/core.py sha256=2YVWF6KadEaN2IAPSDzFMwBxYCAKW8hRPN10NHbb-oE 13254
gt4sd/algorithms/generation/pgt/implementation.py sha256=U_kZhrVv77n2Q4iECl0ALdiEI-pW5BVkaeEhyIQyLaA 15685
gt4sd/algorithms/generation/polymer_blocks/__init__.py sha256=hqGdVXClcndUqljg81Szyq0iQw52Bxhom7L29AnLnyE 1257
gt4sd/algorithms/generation/polymer_blocks/core.py sha256=7wco-apz9wlemcUs67ar_hzhT3w9AhGPS3OfLfNtUCE 6847
gt4sd/algorithms/generation/polymer_blocks/implementation.py sha256=0VwIWYjXl0CMSLTSloHrSiI4GvuEEb9703xotxpg0xE 5775
gt4sd/algorithms/generation/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/generation/tests/mol_dct.pkl sha256=RifHRB_3O_6k84aKQUrR6Qvip3WhQ0oljBOU0RvjzuQ 128648
gt4sd/algorithms/generation/tests/test_diffusion.py sha256=3FmmTuOQrLtIpD99CW0IaggLyJ00PM2egtih5g7cXf8 8365
gt4sd/algorithms/generation/tests/test_hugging_face.py sha256=qhqUGZUTTHqAYa3NUa8jYiw5wayE4OVgL1Le_CvKOXQ 8520
gt4sd/algorithms/generation/tests/test_moler.py sha256=ujT4qK-kwFgPKWJV8c2qcQ4s-c1PQgtEcslbl_t3CKU 5137
gt4sd/algorithms/generation/tests/test_paccmann_vae.py sha256=9sEBdw_gU9NxyqYUg6CV4sI-jMMBwOM3tJG5lCjOsYA 3798
gt4sd/algorithms/generation/tests/test_pgt.py sha256=uCgPDECBcDzCybTqDC2QtUVAhw1ja3N_SD3CyAYGEno 5097
gt4sd/algorithms/generation/tests/test_polymer_blocks.py sha256=EE5aS_rus5YuZkKRhyQrOfJWrcJLyJ9luLt_0aq255Q 3884
gt4sd/algorithms/generation/tests/test_torchdrug.py sha256=rfKsVj-lpdzxDkE6q-JefISUXWPSNp_-NB4TyC88U2s 6849
gt4sd/algorithms/generation/torchdrug/__init__.py sha256=VjpiHXS_68KowNDijYeDb0pe2IuSkx_JSPLcmFP-ZiI 1301
gt4sd/algorithms/generation/torchdrug/core.py sha256=ApzC6EH_lCeO_QhMvjaoDJhzwfu-lVZ_InmcIMZwDzA 8623
gt4sd/algorithms/generation/torchdrug/implementation.py sha256=DEAAy7oZrF0W-y7zbLVDXqYbcRrWtr8d2PLd3E5MD6Q 7305
gt4sd/algorithms/prediction/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/prediction/paccmann/__init__.py sha256=KKGa_e52-hiVMwdkW2OmAYJMvREBd91d10cHOnyMTFo 1200
gt4sd/algorithms/prediction/paccmann/core.py sha256=3JpdIXRbowCH8iXwZjdRZZy4SlwcXqtHxTfEowBFlAQ 5275
gt4sd/algorithms/prediction/paccmann/implementation.py sha256=VugEz4kaROZaiVbsy7RRKZRAQoNg4edJuVf5vd9Pvlk 6450
gt4sd/algorithms/prediction/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/prediction/tests/test_paccmann.py sha256=4tywL4CeGUHQRYTBZ_XfRpDW8hnCZ5HazVLtXKXxr7o 4976
gt4sd/algorithms/prediction/tests/test_topics_zero_shot.py sha256=Vq81E53lNRoWWBbjW9huuRKFZcKFwmRQJTcX5ynsksY 4166
gt4sd/algorithms/prediction/topics_zero_shot/__init__.py sha256=Xi29eCWGq_GwJxIs-dv4cNdm0ohcsdzhFLjZshSDfBU 1272
gt4sd/algorithms/prediction/topics_zero_shot/core.py sha256=BgnWjXMzuC421uvmKIwxr-MtHeM4rnOXt5ijwNhs73E 4963
gt4sd/algorithms/prediction/topics_zero_shot/implementation.py sha256=LHNgsAzAr1bh-Nrek6SkIMozzN2ifCQ50_jD2VaLxWk 3867
gt4sd/algorithms/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/algorithms/tests/test_config.py sha256=3IKqfPtwXsVbOgpZ61jShQmFvBj2a1i6hkGK5hxQONM 2392
gt4sd/algorithms/tests/test_registry.py sha256=KufopToUJUiUyqfIe-tIWW7AVkgc8B2OfRdCHhHQo_0 5143
gt4sd/cli/__init__.py sha256=vvxm8EzLS47NdmsvYWvR7PUmepsqf13x9EsxPKoKAvw 1148
gt4sd/cli/algorithms.py sha256=MZlNsykJk5b4WaQziUxSsoDGZrNSJSS1iawsp_lv0mk 3211
gt4sd/cli/argument_parser.py sha256=Ddg7QkocwQ8mrO6CWR_4madt2c5A2scnX8sj1M5l6EU 7977
gt4sd/cli/hf_to_st_converter.py sha256=tMiJll8bWFRqtGQJAcAc-V0Fubciw24ZXFhgUKFa7iE 4380
gt4sd/cli/inference.py sha256=UgqNC45N7Uy-VDvNt0Sh7SgVzWrNMm1YryD1iZ1OcLE 6910
gt4sd/cli/load_arguments_from_dataclass.py sha256=BE6Jc_-YsisXEanKnKhTOk53Kx7nliqZzSYMHx3wFxs 3848
gt4sd/cli/saving.py sha256=ooC_SteeLZsC6faN4F4wIAyPPCoM77KgwnkirRk_KNo 7893
gt4sd/cli/trainer.py sha256=39TwdH_iau88X8wUfwL1zyT30bOgiOMSsTcc3spJpqc 6950
gt4sd/cli/upload.py sha256=IQX6bnwGa8hGFPv0d4AaAkO2_rcpSnNS_dkHEcgIoKc 8169
gt4sd/domains/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/domains/core.py sha256=O4rVR6kW1EG_F1mibyA1mS3V90gJ2fPtnY1bCgkSNws 1426
gt4sd/domains/materials/__init__.py sha256=RewyG44G1dj0VY3TSkARdCVkTGJLRe3bVy5MDIahcgM 4411
gt4sd/domains/materials/protein_encoding.py sha256=eluLSs_itglh5DutX9hJKyISMbROZ84tQWP8qOySSQQ 9964
gt4sd/domains/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/extras/__init__.py sha256=-byvTAQCfVfaqKjju42KP2-T43lQ6qqagkEGepjhfWo 1312
gt4sd/frameworks/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/frameworks/cgcnn/__init__.py sha256=ReATOddUys-1akG8qazGNsI-qbRBM_Hh7JHw9VigBhQ 1179
gt4sd/frameworks/cgcnn/data.py sha256=S4rJES3J5Q-lo0kTGDOguVXfVhj93PRGu-ny-BpKuTM 15749
gt4sd/frameworks/cgcnn/model.py sha256=IQFO16uePQorKActkwVosZUhwjys2ohXy2BqvUzkPwg 9607
gt4sd/frameworks/crystals_rfc/__init__.py sha256=18RlajJyLy9H_0So1j419DFJVBe7dFKKLgOl-IyUx_I 1179
gt4sd/frameworks/crystals_rfc/atomic_data.csv sha256=J_v_f1ufJ44KGZPTzJwBMsqZuU04DLSYSe4yDQ-vxJ0 32266
gt4sd/frameworks/crystals_rfc/feature_engine.py sha256=VE5Tii8iNkQ2rqACJiMLZW99geIZ4r6LBGoZLiPz9ZM 7815
gt4sd/frameworks/crystals_rfc/rf_classifier.py sha256=uFskRlyQbf65dTfUpn9efp-ao82c4tSgasLFQdUTXP8 7256
gt4sd/frameworks/enzeptional/__init__.py sha256=wLjqy2bsIUZ9rWhlK2oxHQtSsc0CLfhY9FMbbkHJAg4 1547
gt4sd/frameworks/enzeptional/tests/__init__.py sha256=nODTnuaXCE7yRxlAeVNfbu6UK2K63lFM478EaawmsWA 1109
gt4sd/frameworks/enzeptional/tests/test_core.py sha256=rHuaPS8UXvF4zejh2i5KDOOjDmSgO0PXiWzOceY5jfE 4480
gt4sd/frameworks/enzeptional/tests/test_processing.py sha256=2bjCMiVLryWcJVsvjxH2SIeidxRVLHMszsQJmXN9SDI 3419
gt4sd/frameworks/gflownet/__init__.py sha256=QAyO8xfXQgJQNcI3RgQ_C8sYbq9b0GCz-vFFbcCjQPA 1155
gt4sd/frameworks/gflownet/util.py sha256=-gVVxrEDCiw_4a0oniuSAuXJINiQDmdy5AnbL-RJKDY 5467
gt4sd/frameworks/gflownet/arg_parser/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/frameworks/gflownet/arg_parser/parser.py sha256=RkG2EvLKeEUgZV-P362Y-QH57dMmOqe078mYVW8Rk4Y 7965
gt4sd/frameworks/gflownet/arg_parser/utils.py sha256=5gfMHNH51Ap7wPAudfKgrlAT21ExJSjq1eWVQ8bkGmc 2239
gt4sd/frameworks/gflownet/dataloader/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/frameworks/gflownet/dataloader/data_module.py sha256=KVwFkBdppCuK3Dh5-KfIDGKSQmI_lsgCWYG_MrcZIRM 7472
gt4sd/frameworks/gflownet/dataloader/dataset.py sha256=PayMFWXht3ChaxpgK6lKPgqHLLHQ-lXI5MS2csNZ9DE 11806
gt4sd/frameworks/gflownet/dataloader/sampler.py sha256=42XKHxliJQpijwe82kEOP0qeYim0u_4ZmD8Ycb1Nmeo 11674
gt4sd/frameworks/gflownet/envs/__init__.py sha256=BNPmVFvH6-NC7ZX3bRVGt1kDU3JamXHpU2k3e2pzzbk 2010
gt4sd/frameworks/gflownet/envs/graph_building_env.py sha256=lcW79TUQv4DqaMxsoqjprsMdHBW5HItWYWGeG74lcVQ 27141
gt4sd/frameworks/gflownet/envs/mol_building_env.py sha256=9WqV3E6tdaY6ypBeqRayEsWNs8P8AzvmW-GPmc-HuOg 14389
gt4sd/frameworks/gflownet/loss/__init__.py sha256=1mbq0sVw8ZSoPQhGHu_6PNRoGlAb964CVVTVJZKxVDA 1338
gt4sd/frameworks/gflownet/loss/td_loss.py sha256=H4ZEZoeXBitLcrW_ziP0v3iYTo4KkjKzXsv_X3zsJY0 1537
gt4sd/frameworks/gflownet/loss/trajectory_balance.py sha256=1c1Nn_gskJUZevq8KrTFhJWgxtpYXpMHIEha89A9ODk 19317
gt4sd/frameworks/gflownet/ml/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/frameworks/gflownet/ml/module.py sha256=s4PzYmEpIs8ygNJMNSfuBC7OFTBKceHb_hJP0P0fWP0 10671
gt4sd/frameworks/gflownet/ml/models/__init__.py sha256=0lEYRLzaAMBTkZRZ8bIXa_snFeF59-HSya_yMlbEq8k 1346
gt4sd/frameworks/gflownet/ml/models/graph_transformer.py sha256=I2-RuomQqKprYsyDUXtSOSLa34uz2zbDMkaES4_Qq38 8328
gt4sd/frameworks/gflownet/ml/models/mxmnet.py sha256=CApebI3vIUcYDLQAY_gDRhHT5sCbXS0o0wiSFWeXFps 34091
gt4sd/frameworks/gflownet/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/frameworks/gflownet/tests/qm9.py sha256=eOwwwreZQrhqryvR2G4WCNzqRz9Xw_8EepBUdpUxaP8 8004
gt4sd/frameworks/gflownet/tests/test_gfn.py sha256=YNBIE1e7XvPPPk6HoZm5T-DKGFDSLlx4jNQv5tx_0d8 5021
gt4sd/frameworks/gflownet/train/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/frameworks/gflownet/train/core.py sha256=1P9q7t484fHeE8XBzNaEPoEG_cDtGzXWHAQBcd343J4 5208
gt4sd/frameworks/granular/__init__.py sha256=JAiZRKltAAc1A-W_WKPIynZnYweNZFutFUr-qSN8ieU 1178
gt4sd/frameworks/granular/arg_parser/__init__.py sha256=3u7ktx2DVHcPSNOLkDt1U2whT-gyAmiPnTbiPTMKm6o 1140
gt4sd/frameworks/granular/arg_parser/parser.py sha256=JYRSF2yqpG5XGg_jGTpSZ5LGoSnzHSVLfELIRcQ738M 4693
gt4sd/frameworks/granular/arg_parser/utils.py sha256=5gfMHNH51Ap7wPAudfKgrlAT21ExJSjq1eWVQ8bkGmc 2239
gt4sd/frameworks/granular/dataloader/__init__.py sha256=r8dmPKdkiZk8AUpkOHYOKP7WWWeHtvo5JPxkyFs8lbw 1135
gt4sd/frameworks/granular/dataloader/data_module.py sha256=CupZN7B2Ebn9MkjnFv5q7Ys5f7l_nxGvXnGYpMsUw2s 8831
gt4sd/frameworks/granular/dataloader/dataset.py sha256=zOiQLBRD5fRKjN4XwVKcoUTzJDd9aWLVjKrBJ7-ZxwM 18863
gt4sd/frameworks/granular/dataloader/sampler.py sha256=3aIsy1gbOdJk69JqFbK5u17n2hgaDh-H1pmALvSCvmA 3216
gt4sd/frameworks/granular/ml/__init__.py sha256=fvqOxfUIV3fbHY3mPD1-2AZ0G1PShG1Zj5GdERz0O3g 1126
gt4sd/frameworks/granular/ml/module.py sha256=OlJLkiNAPGjinQ-k-83a4Q77TcKKXlKm8uv7kZFsJ7k 10081
gt4sd/frameworks/granular/ml/models/__init__.py sha256=nMp-vch0s9OgJc59cJg3ZCRlEfXunHoYZeQ6tZPd7PQ 1998
gt4sd/frameworks/granular/ml/models/activation.py sha256=UThrd-dtoaTBlk3zFZfCYyc3rYpmo5A9IrYrhgUdh3I 1347
gt4sd/frameworks/granular/ml/models/base_model.py sha256=ipm_beEi4PTT6bHHswNbRu9wYRU59Oi9CDwwvAYvVII 5517
gt4sd/frameworks/granular/ml/models/loss.py sha256=BnxXJo1HVxVVWH6OkZKQrAy6c1OsWahbZgmCCITR0x8 6765
gt4sd/frameworks/granular/ml/models/model_builder.py sha256=60wb7CMNPHBgjrln682UMPi0x1WsGMUKRSy9vwEFBvk 5917
gt4sd/frameworks/granular/ml/models/module.py sha256=y3Ktyxuk9s9m0yc0CdOlXWJDJwC0jYik8CVA2RSVe8k 35475
gt4sd/frameworks/granular/ml/models/utils.py sha256=Zjm2IGiqmdJg2-7RkoI-hpk05QNTProtYGqyuKzXgg0 2172
gt4sd/frameworks/granular/ml/models/mlp_auto_encoder/__init__.py sha256=0tIaNAQre3bHWp-I8ugd1Yt4iXYlpYUlEFlJNFcfm38 1198
gt4sd/frameworks/granular/ml/models/mlp_auto_encoder/core.py sha256=fs8stX0RE00sjrPXVGLGLxVW5S05XvzhI6KWocI-Bas 8923
gt4sd/frameworks/granular/ml/models/mlp_predictor/__init__.py sha256=9djPnc_KQBgZBU9fKy9JwPTKsQKUKIK6lw86NJla1Ww 1194
gt4sd/frameworks/granular/ml/models/mlp_predictor/core.py sha256=zt34qBJTMRF7uC56NEijtyiPxcVa2h-vXOPnfZ7s_qI 7160
gt4sd/frameworks/granular/ml/models/no_encoding/__init__.py sha256=RzB6F1rRpubDcXZ_tM7AHI0GVpnUItT05hgD6BAmoMA 1190
gt4sd/frameworks/granular/ml/models/no_encoding/core.py sha256=TnDWmf_-IYo7nriOzf6S_r7jpa74amdbKiHwF0t9oLU 5797
gt4sd/frameworks/granular/ml/models/vae_mlp/__init__.py sha256=hprmtKhbyK9nbWPsct0-uJA-A4SVwns1AuRsaF28qxc 1202
gt4sd/frameworks/granular/ml/models/vae_mlp/core.py sha256=OwXi6o8AU7EZWmPgzUKNddoMVp6bSVhK8NHtTi8QIJc 10825
gt4sd/frameworks/granular/ml/models/vae_rnn/__init__.py sha256=2xMruuClgRpOTZFvp5oDAQfQL6JZBXCD093atfWDhSA 1202
gt4sd/frameworks/granular/ml/models/vae_rnn/core.py sha256=KyCaKRyi_-D6Vjt9r9xHzBw4KFcsYx5cl9dShG2ctYQ 12917
gt4sd/frameworks/granular/ml/models/vae_trans/__init__.py sha256=TGEqb4lZGB8LSUp2zc7tWflufrtrc1mtiHILsmwaHHs 1218
gt4sd/frameworks/granular/ml/models/vae_trans/core.py sha256=WXlHG_TDlKLanUNiOJzVRQjLNxlf4zVwkFa09KSurIo 15186
gt4sd/frameworks/granular/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/frameworks/granular/tests/test_tokenizer.py sha256=-iI2Wur4c_4iOvcyOw69dLQboch6UxrHrQ-hadfixlI 4984
gt4sd/frameworks/granular/tokenizer/__init__.py sha256=xOYxs5mV3vpAezvTd0rQNC5wT3isxK9wANBWd0r2VWw 1281
gt4sd/frameworks/granular/tokenizer/tokenizer.py sha256=6YgmEepeliTbH-1AvnAsQeY6fJbpPMWKIFLxpRqfXHs 18134
gt4sd/frameworks/granular/train/__init__.py sha256=LQRHXv6dEPsr31yZ2mcW-I2IK2mJPW4GcXdzpRq-8SE 1129
gt4sd/frameworks/granular/train/core.py sha256=Hq3y8X5dPbTtw98k1dRj9Zf11GUrLKGWCQBMZ_chciM 4482
gt4sd/frameworks/torch/__init__.py sha256=0OO4LLDSNMzXcW0SJlAvTPQloh3uyN3otBlx1qdE8yQ 3330
gt4sd/frameworks/torch/vae.py sha256=pdtAo7QNNot_1v4fjUgYgZ4BOIhNTJRPI81ns2SCLmg 1626
gt4sd/properties/__init__.py sha256=EYvlcjoem1HYodAGTc4qnga5K8yHENNIe1JMalQNoPE 4518
gt4sd/properties/core.py sha256=b3kaMBsuX0D4YMgSZu-Bb8qMWvodR5F0zk7xa6_lc84 4893
gt4sd/properties/scorer.py sha256=gpuCXpDV324Zz7h3eIhIvqrkBS1Y3YhtFsYd9Qc95_8 6581
gt4sd/properties/utils.py sha256=17w3DWIqK4gePBTNYiiMCivAxGUAfs4SSVPrSh5FOhk 7948
gt4sd/properties/crystals/__init__.py sha256=omlydeRgavbq0343v6y8u98g2zlPKg5gn_oi2Nr38xE 2736
gt4sd/properties/crystals/core.py sha256=9ec2TM6zxVBbj4bllruvbFI9Q8614U2L2lM4KeTwL-w 11103
gt4sd/properties/molecules/__init__.py sha256=J84KZBSoPFbmkyuVK9p1yxT1JxqzsCC2VEQ4NK2vcZE 5066
gt4sd/properties/molecules/core.py sha256=zrTgU2uX8E1exvhYfosQKQuZjhPEXPn5pmZgdgWVzpw 30731
gt4sd/properties/molecules/functions.py sha256=M24Q2uzxohT3J-VoYR8R0gdiK1TlwByWcblNo7QedXw 8273
gt4sd/properties/proteins/__init__.py sha256=3G2XWrmeDkixbl-kjsn6ne3R9faenmcIVU-BTPONWuY 2483
gt4sd/properties/proteins/core.py sha256=GZbtghGwfEGISsBWcTfrbkZ2vDpzpohxDIK0lvAUEq8 4991
gt4sd/properties/proteins/functions.py sha256=00DkKRii3blNyF9TqacTwEyvhYRRYLF862L1DfgkrNY 4925
gt4sd/properties/scores/__init__.py sha256=RfL-BD3z-cEXCiNK9UpjBTRQwdvtUTiLQBDfyj1mQss 1673
gt4sd/properties/scores/core.py sha256=TXwiWZPMATNXA_glVQeGPGGgX-V6gi54mqzgjrh78EE 11408
gt4sd/properties/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/properties/tests/test_properties.py sha256=1pYpI0h6HGkHLU4aLqrx1_YZRlUHwynSOkaDpRthooo 9859
gt4sd/properties/tests/test_properties_scorer.py sha256=TmAkDMrmuSLftS-5cz_VXgYHET6L_VsQHjBkYBeDryY 9268
gt4sd/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/tests/test_configuration.py sha256=edpm9Lc5HMZsGKENz0n6icHZCo31KOSAr-P0Ar7Pcsw 2106
gt4sd/tests/test_exceptions.py sha256=BPpJUKIYfdYlz3SL-tFHhz4zfo8yIrCpegCfZX7RciI 2254
gt4sd/tests/test_s3.py sha256=t7I1_AlBDOaDXWVRfTIPXyg0_iqxZEEtjbNjsQwEnBk 3962
gt4sd/tests/utils.py sha256=-1a45gEAArSSem_usGG9h7LtL-raWkUBeHq4tRyKk5E 2423
gt4sd/training_pipelines/__init__.py sha256=lWDoofx0AhCvFXjKDbtNCWfC_mdUp6kHruXzL8fDsuU 9744
gt4sd/training_pipelines/core.py sha256=ljvEESDDapmilRdYmJstIb3IhVVuQjdUVpupkwpvBTk 1573
gt4sd/training_pipelines/mock_training_pipeline.json sha256=hJFnBmgqFx1xhnrgQVA4opM6y8YDB-IEwgw3RjUnwmM 400
gt4sd/training_pipelines/terminator_training.json sha256=3mf8upA68dFKnG5nKHow30JxQw14uMJZLEGbsNlIF-s 4299
gt4sd/training_pipelines/cgcnn/__init__.py sha256=dylAiLoM8hXHqDtNlhIPUdXAK44Fl_z-IvgDxhWjkxY 1155
gt4sd/training_pipelines/cgcnn/core.py sha256=g5TBjwbGTc8CDZHVp319Y5vGVwT3uCcNeEublko4JpE 24878
gt4sd/training_pipelines/crystals_crf/__init__.py sha256=Xgc7IY19U_pMH7v9UOnC3TWTQNKgigkDpCAJtqAHh3A 1162
gt4sd/training_pipelines/crystals_crf/core.py sha256=RhQsN5h7nUdJRkXGKoBHwpwt83zX5mGnZiZmXbh9M4A 3974
gt4sd/training_pipelines/diffusion/__init__.py sha256=a9nERoW-ap8ZZc5wSsldKO1oUcfXFI6G8QUJ4xIHU64 1159
gt4sd/training_pipelines/diffusion/core.py sha256=b9w-Onh2jvVTzMivMjPw2Vqpl2-ZQoH9hje4g8C95JA 16237
gt4sd/training_pipelines/guacamol_baselines/__init__.py sha256=oNHbbDeBq3lJj5LgN7OrpI41Q3rWoBIT8zWYIu7khi0 1169
gt4sd/training_pipelines/guacamol_baselines/core.py sha256=FOTgCqrUswN-6urN9Kn3_T7A4gtPnADoS8B5wPWfRew 2731
gt4sd/training_pipelines/guacamol_baselines/smiles_lstm/__init__.py sha256=3BW4BbgFMk2YL7ulKz3ToV85Te-ONgsX_w5CJXhlFtY 1170
gt4sd/training_pipelines/guacamol_baselines/smiles_lstm/core.py sha256=PmRU1FR4e9n67b3noE8041bJu5KDBX-B4U4Qryo190A 3478
gt4sd/training_pipelines/moses/__init__.py sha256=goWLfqUorNg6kyOY_zZ2t0Axf9kF39W4l-2Yg-5OxdY 1166
gt4sd/training_pipelines/moses/core.py sha256=HmMmidu9UOtt7T9AxEzgfWEnEiqoZ-_daXzHM7o8ZEc 3596
gt4sd/training_pipelines/moses/organ/__init__.py sha256=tVwT7_g3WNwQ3kjksNxdKXPnrcItTTLEAn3j4PKeiEE 1161
gt4sd/training_pipelines/moses/organ/core.py sha256=bXQgPNq9GiTBUrVIbDAJgyu7JjBfP4CM1MbBakWETlA 6037
gt4sd/training_pipelines/moses/vae/__init__.py sha256=BTjajOseqeTSDFKtBI8h8xDnDdefsy9iwNc0mDOGpTw 1159
gt4sd/training_pipelines/moses/vae/core.py sha256=J3PM6gQZqDNjAeBRT7Lnyn-rkXPso9sdI3H_oPR5qpo 5319
gt4sd/training_pipelines/paccmann/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/paccmann/core.py sha256=QfNURaQ2MUrBPrm8B7KK7w57ES0PbTb7zYvP-e0fxIY 5529
gt4sd/training_pipelines/paccmann/vae/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/paccmann/vae/core.py sha256=wqI9miVxpjQGf2azdZ9EQ9TaRPXcU6LuJvO0_dGLWLA 13987
gt4sd/training_pipelines/pytorch_lightning/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/pytorch_lightning/gflownet/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/pytorch_lightning/gflownet/core.py sha256=HZu7qlWqRsZ0PyDVz3339c1DDXEx_4I_Vhmxkpft428 16893
gt4sd/training_pipelines/pytorch_lightning/granular/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/pytorch_lightning/granular/core.py sha256=FuljYz2aFnCI8uBe35Av-_qr5zMbH6YxWnBe5cQhqR4 8062
gt4sd/training_pipelines/pytorch_lightning/molformer/__init__.py sha256=zJIdbjI6T5EPvWQ5vjtw2eXJBnA3OrKoVoZ-pVgkX8A 1159
gt4sd/training_pipelines/pytorch_lightning/molformer/core.py sha256=N7wJF0yM2BdZzjJeODnALAyb8pOGjEiTtM2f9yw-ETg 16070
gt4sd/training_pipelines/regression_transformer/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/regression_transformer/core.py sha256=BfaO7acgo3wLa4tNt6aRGEvo68DCc2K7zjkyXgkpb7w 7584
gt4sd/training_pipelines/regression_transformer/implementation.py sha256=W76SC0X-tkQUeSydKF5mXVlVDS2BKSV2KnJqgxKMZFw 15316
gt4sd/training_pipelines/regression_transformer/utils.py sha256=hXwXxDg8QdStKg1p2g-PivcO5UUGVMlMZvweNtySCtA 16473
gt4sd/training_pipelines/tests/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/tests/molecules.smi sha256=QmLnljHjF_XRaex1xW2hjBJsZKtwJV-VQgCG008X7Ig 1093
gt4sd/training_pipelines/tests/test_argument_parser.py sha256=_fE-kZ-FVNjtzln97wBVpXuZHvGHtIkZd0FiivEmzQc 5332
gt4sd/training_pipelines/tests/test_training_cgnn.py sha256=IogYNBY7tmscfmqYq4LHXRjGgOy7_RdtL8CZowvjZuQ 2517
gt4sd/training_pipelines/tests/test_training_crystals_rfc.py sha256=vt0PPJml2qEoQ1Bwjz98VI-DxFrud5oRtyzLHGuwOXg 2126
gt4sd/training_pipelines/tests/test_training_diffusion.py sha256=veJO4qS7vGKvradmvjg7z_m7SYWt4pZmPbmAbylnzzM 3332
gt4sd/training_pipelines/tests/test_training_gflownet.py sha256=FxQSenrkVdsO0H7MaYMu9fp9BPjT5jIXM36gjKYs8xo 4940
gt4sd/training_pipelines/tests/test_training_guacamol_baselines_smiles_lstm.py sha256=8ZKS5d7pSYdG1DFEmsQ3tX2MaUPGG_yf-d_rugRk4uo 2378
gt4sd/training_pipelines/tests/test_training_moses_organ.py sha256=_yOEr3UBBiiav-IuW8ieVbYWgJK5S26T3La_fUw1I28 3444
gt4sd/training_pipelines/tests/test_training_moses_vae.py sha256=Ou01-ELtd6ZFQ1ix6eLZEUAz2n2gh3QrGCTBwudWY_A 3343
gt4sd/training_pipelines/tests/test_training_paccmann_vae.py sha256=8NU01bjBVoVZvAa8wA-WC4BwcTE20SIngqT8c4S-c78 3054
gt4sd/training_pipelines/tests/test_training_pipelines.py sha256=fnZ5NvkKUvlfCe2XDfedANhJxw4a1V9E8hysonxLj4s 2985
gt4sd/training_pipelines/tests/test_training_regression_transformer.py sha256=hEWs3tWO3BH4Q0Xy2cRWBFNEJJX7V_PJSFDq7cN0fts 7752
gt4sd/training_pipelines/tests/test_training_torchdrug_gcpn.py sha256=6UTUyyxuTlI_i0aMJy--I2Suo3c2ydJC85vc3okKCCk 3427
gt4sd/training_pipelines/tests/test_training_torchdrug_graphaf.py sha256=vwKwM4Eu4NV5TdWU2KxbP3GHB5qcAjGFS5JYd99BWLU 3294
gt4sd/training_pipelines/torchdrug/__init__.py sha256=vwRpVSypwOQKcilHAY7k_6pQPpk32a7g7_wnuMl3NZw 2578
gt4sd/training_pipelines/torchdrug/core.py sha256=A-fjdrvcvzjzgWRAwvuBdPfwiWqsbceTR2AVYkmXdFw 7801
gt4sd/training_pipelines/torchdrug/dataset.py sha256=qlecnu8PxeLnGqyMuoRAXAYPivs8k7Hsf1cYAoajF1k 3617
gt4sd/training_pipelines/torchdrug/unpatch.py sha256=ljWRvnWLP8TQBKhantAQOGVaPteTNP5gA7xfmOE1kfU 7164
gt4sd/training_pipelines/torchdrug/gcpn/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/torchdrug/gcpn/core.py sha256=_cowfZhKsnlngEjt4MKl_Ngqrb1liBYAxo_s1r48bMY 11880
gt4sd/training_pipelines/torchdrug/graphaf/__init__.py sha256=iYAsFSqEFx5GWJ8wzWuo5mv2EZj3FWSl1CeYXPZOwyM 1109
gt4sd/training_pipelines/torchdrug/graphaf/core.py sha256=SLVGMERnxUlmlOtseASb-tb-7oE_1UNLwunqK1GSppA 13413
gt4sd-1.4.3.dist-info/LICENSE sha256=XiekZ2wdCWL1Nl6HXoDMXOnllMS3bE2xsizsfJYSjig 1067
gt4sd-1.4.3.dist-info/METADATA sha256=p71_NFu3LHSNmw8ZiX4R_KQ4k8J6FEGnETTuKa2R78U 19897
gt4sd-1.4.3.dist-info/WHEEL sha256=cVxcB9AmuTcXqmwrtPhNK88dr7IR_b6qagTj0UvIEbY 91
gt4sd-1.4.3.dist-info/entry_points.txt sha256=V0Y78IzJAruyxMBGdgfQuy1EG5EYwqrPT5IvoEXyqKk 225
gt4sd-1.4.3.dist-info/top_level.txt sha256=3mOfdiGfaW7R8lDPQ7EkG25ljNpJmaT4y7452NxHBoo 6
gt4sd-1.4.3.dist-info/RECORD

top_level.txt

gt4sd

entry_points.txt

gt4sd-hf-to-st = gt4sd.cli.hf_to_st_converter:main
gt4sd-inference = gt4sd.cli.inference:main
gt4sd-saving = gt4sd.cli.saving:main
gt4sd-trainer = gt4sd.cli.trainer:main
gt4sd-upload = gt4sd.cli.upload:main