Path |
Digest |
Size |
chem_mrl/__init__.py |
sha256=FT6LFzx3qgyHwWhtxkebuxSA9Aufv5J600xYyzBbgtI
|
386 |
chem_mrl/constants.py |
sha256=-sH8pjAFr-cC-ylHCNUbXvdDhRHFFcb-70A7Im1PuCQ
|
4676 |
chem_mrl/molecular_embedder.py |
sha256=EoF_R4mEwL9thTIilDa1aGm-L2Djjv8OENwMRdN_Lyk
|
5340 |
chem_mrl/molecular_fingerprinter.py |
sha256=O1lcZFwvMc98rd5kzHaAiy3Tqu3Ukff05KNaomUBYhE
|
7003 |
chem_mrl/util.py |
sha256=ULDArHmFEdqItZ19bHrA0bWAqWPGGXdPEeRDI6bEIkI
|
2252 |
chem_mrl/benchmark/DatabaseBenchmark.py |
sha256=c31BskNQD28Rk0okD9WR1jkW3zlrB5uWz_7EI3CYLM8
|
8260 |
chem_mrl/benchmark/__init__.py |
sha256=rExTCbcpVTiAfkeQf7_iLf0Ro28hIOTOPxCi6hxhm6U
|
118 |
chem_mrl/conf/base.yaml |
sha256=7Du9X2gWQIg2EbYrWXmS7XZsHRWxEhgf3YhfvJUskjU
|
3279 |
chem_mrl/conf/chem_mrl_config.yaml |
sha256=z92VBbLzEvknI03zUoOmlz3QwkfNur7wUVcr8x2uP7A
|
170 |
chem_mrl/conf/classifier_config.yaml |
sha256=cZRs5jG1EeAx66TdZe2LjGlOlUuNAhCe1YrWwZD6SdQ
|
173 |
chem_mrl/conf/genmol.yaml |
sha256=Sj5nns8q_LPUsqEwDkDjk8ITfO2J4HSdbxxNG0hZJDk
|
2038 |
chem_mrl/conf/model/chem_2d_mrl.yaml |
sha256=4OT7PBk3ONsyclWRt2gbOTmyiFxbQOfiUcLKThPqLSQ
|
966 |
chem_mrl/conf/model/chem_mrl.yaml |
sha256=CTMk_JAFhKy6ZQ5uUso5ofTvC3KO-jdkB-AfN8vDNuw
|
2265 |
chem_mrl/conf/model/classifier.yaml |
sha256=YB1kH6VUsnKzX-QPrRLOtDGFLOuXaQmZSGEvFy9EM7w
|
648 |
chem_mrl/conf/model/dice_loss_classifier.yaml |
sha256=9WkcZ4CNQzDFVPweTL9Or0hor3kgLCOZNi8EzGIXVn8
|
214 |
chem_mrl/datasets/PandasDataFrameDataset.py |
sha256=o21njKQLfDZ-o02ip1isvCcEHunHLkJkQQncRnqDHIQ
|
2475 |
chem_mrl/datasets/__init__.py |
sha256=aQtiBBg7enI9Nbu6OwiPiKRfoVVu5oyLjJNPUBfG6Vg
|
140 |
chem_mrl/evaluation/EmbeddingSimilarityEvaluator.py |
sha256=QcCVMd9cLmTGHA4elzxmFQnRreNbNLAh34O9mGFHUAQ
|
8983 |
chem_mrl/evaluation/LabelAccuracyEvaluator.py |
sha256=MlJn_yFzXyHTwzdTZdWV62byk3RoIxKv8-yMV8dw0vE
|
2652 |
chem_mrl/evaluation/__init__.py |
sha256=eozxGYyHTAlsqIseDEUF25SK3vYLEhZ0PO0qoF49hKs
|
256 |
chem_mrl/evaluation/utils.py |
sha256=RYMuulrBxRbh3hoS4Nn3-7-TrljjT1mHsNCI6fEKdoQ
|
632 |
chem_mrl/losses/AdaptiveLayerLoss.py |
sha256=_EDVqpkjfwSSNZj_Hn_kDuQ8ErKvqfpYvdDBSr2K6ow
|
10642 |
chem_mrl/losses/ClassifierLoss.py |
sha256=ov14hm0T9gFiR9lL6ACS1HeibmIu-yZxIEt5_QPM4LA
|
10443 |
chem_mrl/losses/Matryoshka2dLoss.py |
sha256=ALetAjwyeHFH9nrUb2zvT6bdolSRcqft-A7mq2mT9sw
|
5572 |
chem_mrl/losses/MatryoshkaLoss.py |
sha256=GutQ4Lzk5N3ZZrBnt1kdW6uTOvh63QRrYAKdWcI6_pQ
|
6587 |
chem_mrl/losses/TanimotoLoss.py |
sha256=y9SxbVvWRdo0SpXs2BEWRHrU6U8Zc-j4ODzKj7guJuo
|
5721 |
chem_mrl/losses/__init__.py |
sha256=47q3JqPZUwMwEMQE2mbZt0cR_DtlL6FSGCX6fDCwnxQ
|
407 |
chem_mrl/models/LatentAttentionLayer.py |
sha256=-K2RzQKJDy7MnoPtT_X4ktzvTmXwQ7HqfwTSZKSLrXY
|
4996 |
chem_mrl/models/__init__.py |
sha256=6Nrdinhj_sYKGPSywHURmr4V70j3JhKITMK1ZRftgZo
|
134 |
chem_mrl/schemas/BaseConfig.py |
sha256=SG3MK5Vv84aWRo0vEgJ410yvMJqs3pVqbWSHqnfWWgM
|
10331 |
chem_mrl/schemas/ChemMRLConfig.py |
sha256=4mkci0x3b4Jjs5Ke0uOJ_3SxoXFSLkm2XIgjC9Dib_Q
|
5808 |
chem_mrl/schemas/ClassifierConfig.py |
sha256=qd6YR2AveFii39fAdwlUZSPmCon-aV_PBMe9NonVCTo
|
2578 |
chem_mrl/schemas/Enums.py |
sha256=dwYh8LeUCwG18_-44-yD6-tUmmXxcgDwvVCZV_0Wtj4
|
1935 |
chem_mrl/schemas/LatentAttentionConfig.py |
sha256=lNKaOjgbMpJip-9H19kPE-3raw_m9vNO0aguRO0_Ilg
|
1474 |
chem_mrl/schemas/__init__.py |
sha256=Xen6qs05m-oZbj-3qXqyoQmX_n3YXH_jYmPW_DByIFc
|
1009 |
chem_mrl/tokenizers/__init__.py |
sha256=KQJbiLipdb2bNYtkBUtXzClIAhqvbo1pt3hCG1OsY18
|
260 |
chem_mrl/tokenizers/QuerySmilesTokenizerFast/QuerySmilesTokenizerFast.py |
sha256=19myCVITtxKOQm_UcovnCY-Nm38p34otyMIUPkBn9WY
|
1071 |
chem_mrl/tokenizers/QuerySmilesTokenizerFast/merges.txt |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
chem_mrl/tokenizers/QuerySmilesTokenizerFast/vocab.json |
sha256=FEIA3euCHRFc3jyuOz0WXx4sg0mnUMNKe-1ae43kYVw
|
6992 |
chem_mrl/tokenizers/SmilesTokenizerFast/SmilesTokenizerFast.py |
sha256=Ho5X8hFC5zCWLfWQt45-Ufk55ahtmMaP_uhqLgkDhsQ
|
706 |
chem_mrl/tokenizers/SmilesTokenizerFast/merges.txt |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
chem_mrl/tokenizers/SmilesTokenizerFast/vocab.json |
sha256=iE16YsC2O8k5rVwnHiS_wRFpixoNg4lOBxpoHnCZzwA
|
7960 |
chem_mrl/trainers/BaseTrainer.py |
sha256=SMK2prnsdOFCWJc67IZAIQ1jlQwdLEy-6hpJq14Sc5M
|
7058 |
chem_mrl/trainers/ChemMrlTrainer.py |
sha256=OfiQy9alls5D0IJZfc-RMANoFF3efDpJAJ77trfeGTY
|
14812 |
chem_mrl/trainers/ClassifierTrainer.py |
sha256=gA0EreJuzdvfQHr75swTeJzL_je8TAxJrjwe2jzgqDE
|
11586 |
chem_mrl/trainers/TrainerExecutor.py |
sha256=_rL4U2PQWIyOA48oulTW-ZEw7MvhQ6lctioythfYLWM
|
5260 |
chem_mrl/trainers/__init__.py |
sha256=BPp1YdjdYBlkvGFKVLAEFrGCQfD-wcM91Ex-aDqyQaI
|
388 |
chem_mrl-0.5.6.dist-info/LICENSE |
sha256=3tpi1Gx0oTdlBd2S8--BGw0VyXBqKBPaLO0BEmtC6X8
|
11319 |
chem_mrl-0.5.6.dist-info/METADATA |
sha256=qimxMVFmjwEN4ZotuJrp7qn8fnqS4oYxBXpKM6JqgkU
|
13993 |
chem_mrl-0.5.6.dist-info/WHEEL |
sha256=jB7zZ3N9hIM9adW7qlTAyycLYW9npaWKLRzaoVcLKcM
|
91 |
chem_mrl-0.5.6.dist-info/top_level.txt |
sha256=LuFTJ5aYgr1WBb9xkWXBjN9XrvqwOXyRqm5ZUdBoOAY
|
9 |
chem_mrl-0.5.6.dist-info/RECORD |
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