Path |
Digest |
Size |
fairchem/data/oc/.flake8 |
sha256=9OCr3bfldZQRNFLz_V91HkLP97-g3bsxGcpEnV648eU
|
125 |
fairchem/data/oc/LICENSE.md |
sha256=UkEte8fOQVfqYou6rLiCngqcs8WPV_mRdhJryM8r_IU
|
1086 |
fairchem/data/oc/README.md |
sha256=ZisyXk4zGAvk7DbxjbcM4DvjjuqRMqhvTbROPzvFUdY
|
10221 |
fairchem/data/oc/README_legacy_OC20.md |
sha256=ljR18YvM3sLahUK2L3vL6N-X0CYm9RRAN2maUjlVKxY
|
8795 |
fairchem/data/oc/__init__.py |
sha256=GNxWhiwuk7RjOLfJzi8MQgizQP4Vs6ffcT1SEOSnLS8
|
405 |
fairchem/data/oc/codecov.yml |
sha256=he4FUyUv95RDDtr-iPsu67wcSod6RWHaoYVMWCM4Yl4
|
151 |
fairchem/data/oc/ocdata_workflow.png |
sha256=za1PpaybTI1icLOAneN5PS99kciBDEy65oQhsZrvPp4
|
64730 |
fairchem/data/oc/structure_generator.py |
sha256=PEiuOb4ax5nPdpy87VH8hpLZFkOREhaRddNt2JAH-Tk
|
14384 |
fairchem/data/oc/workflow_image.png |
sha256=4OD883PTt_Y0mQmOiQQiiFKpwcROrkmZriT4Owm8a6Q
|
58230 |
fairchem/data/oc/core/__init__.py |
sha256=gC5P74LJX9loliKSbdwXi8UqeO00XgxcITw6_-exyzI
|
335 |
fairchem/data/oc/core/adsorbate.py |
sha256=A1w3HOCqWExqRjooMt9RUp2S71W6st8BWinIq54a3L0
|
6499 |
fairchem/data/oc/core/adsorbate_slab_config.py |
sha256=PgoCz1QOi5pOTSmbkANW7RchvZtG2k9xD3YeLVv-lRQ
|
21993 |
fairchem/data/oc/core/bulk.py |
sha256=hP1H089R4rerN6xpSJm-10M9ONwhlwnH9bGJE-c8-_4
|
4410 |
fairchem/data/oc/core/interface_config.py |
sha256=UDu8u42_RQ7PtfR2q5nPvcUWdq1RlKiwbdmClAM69o8
|
10428 |
fairchem/data/oc/core/ion.py |
sha256=OiFviPt8UaygwXrcQMp1RnaHJ0jQJXWfp5W8-rxuFJg
|
1921 |
fairchem/data/oc/core/multi_adsorbate_slab_config.py |
sha256=DzWbwdaGsjuSjnsGZwE7Bzfx-d6neqGuLuPT-989z1k
|
9337 |
fairchem/data/oc/core/slab.py |
sha256=5IpEAVWx11eFy1sXdYEmz6Wjv-lFvlSuhqFL1_aVFdo
|
21506 |
fairchem/data/oc/core/solvent.py |
sha256=mp4neJf-HSGdrZDuQ2t3VeMLMRMCfMrrjpNZN6892Qc
|
2405 |
fairchem/data/oc/databases/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
fairchem/data/oc/databases/update.py |
sha256=qZHBBt1FN_aBygJvDvIyW2WzSt27BF_9HI8W3AqWnxs
|
2596 |
fairchem/data/oc/databases/pkls/__init__.py |
sha256=V8eelx_k6cy0DmuSI8Er-cYbjhXLGpPf13iYZqR5Fjc
|
281 |
fairchem/data/oc/databases/pkls/adsorbates.pkl |
sha256=1TkeaLELcUIGvhsipX0gB0M6aJj6wUBxBMEB37ob6qM
|
52517 |
fairchem/data/oc/databases/pkls/ions.pkl |
sha256=uywSMnzk8rCz8l4G19Del_j3Kft2PpUVk2I6Jq8C7QE
|
6048 |
fairchem/data/oc/databases/pkls/solvents.pkl |
sha256=8YvOHnQiaYU9toldRHEtKZOLMhosaEiry1YkTTYxdyg
|
11210 |
fairchem/data/oc/scripts/precompute_sample_structures.py |
sha256=hsZSiXH4FqFcyBCM-Pj5ZL__JGosNUsSJqzFCD8QzCg
|
6451 |
fairchem/data/oc/utils/__init__.py |
sha256=V5cPGFpZHKPW-zTVLrADGHsS6WRMzVujZxEwkFldYmg
|
80 |
fairchem/data/oc/utils/flag_anomaly.py |
sha256=18ApkgiW2EN0e5881mCMEV73pjKGx8T8lETjZbFmqOM
|
5550 |
fairchem/data/oc/utils/geometry.py |
sha256=Bz217y_DVRD2bhDBZ_EeZ2lx-xBcjTEmrphZB4esKuc
|
7571 |
fairchem/data/oc/utils/vasp.py |
sha256=aBi2cOOg-IZJms7OBox_0KegZB2THM8Qx8OERBl45KM
|
3287 |
fairchem/data/oc/utils/vasp_flags.py |
sha256=-4KRXfmeuS0Vb6A1EP9IGo1vgCnqqyJ-B13tOUFyXwg
|
1768 |
fairchem_data_oc-0.1.0.dist-info/METADATA |
sha256=2rFvoWr4NrJxM967lLyDxStTTkGYrUqWNu-HqFIiZkE
|
10720 |
fairchem_data_oc-0.1.0.dist-info/WHEEL |
sha256=fl6v0VwpzfGBVsGtkAkhILUlJxROXbA3HvRL6Fe3140
|
105 |
fairchem_data_oc-0.1.0.dist-info/RECORD |
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