Path |
Digest |
Size |
geodock/GeoDockRunner.py |
sha256=tnumOsqk3bz77CNENAldYLUnWVAzZJ_lhMMXfHgqClo
|
2494 |
geodock/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
geodock/datasets/RepD2_dataset.py |
sha256=RRrteL6g4ONJkGpQ7qbBWcTQXd7OlNEfneB4srozEHM
|
6046 |
geodock/datasets/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
geodock/datasets/bound_dataset.py |
sha256=MRFSEzXvLXYnOf0bDaOhfZH7RQcc5QFy-87rZoocjyE
|
6133 |
geodock/datasets/gen_dataset.py |
sha256=nSVH-uFyh3ucbzBJRCL7UENsibHJzgwtwOZuVrqN8VM
|
9696 |
geodock/datasets/geodock_datamodule.py |
sha256=6s406FaE0vRKLMQznUYejf1bW2IvyERQRCKfOCoDfec
|
2109 |
geodock/datasets/geodock_dataset.py |
sha256=lSfac1YB-F1R5LC1B437PeWTM863SfuKiGQscbm0tVE
|
21841 |
geodock/datasets/unbound_dataset.py |
sha256=z6slflfoh5NHSbqfxUic49DenBW90jcGX2DLDYKIkP4
|
3242 |
geodock/model/GeoDock.py |
sha256=bJo7u6Swc5oNa7t5OVzTrcLgBLu_QzJuAtnuuAvMdVQ
|
5090 |
geodock/model/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
geodock/model/interface.py |
sha256=omUM_KyhS3TTa_8cX3UFaNlYJRKo7LBfn708RvhTqfM
|
486 |
geodock/model/modules/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
geodock/model/modules/graph_module.py |
sha256=_-gIsaBTF4ArdfZntvg9zB1o3-BdV9fKtWdnAbGxVuI
|
7910 |
geodock/model/modules/iterative_transformer.py |
sha256=vL4GQKeI8bS5N2UvqmIf0IVuyYVKuLjM27oBvxyYC_Y
|
7183 |
geodock/model/modules/structure_module.py |
sha256=QDK2mcEo346hyXSMR0EYGXe-c07IQazH2wC32wuFCTU
|
9365 |
geodock/refine/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
geodock/refine/openmm_ref.py |
sha256=dLjIC4Lp-Fy9OGVwnNfMJc3qdAdTtUuys2DG2KrX5wc
|
1654 |
geodock/refine/pyrosetta_ref.py |
sha256=ILNnG66VWWcGmnEMHz_Bdfycaeq5NT6ktFZTLD7NcSg
|
3243 |
geodock/trainer/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
geodock/trainer/run.py |
sha256=Rl25RBy_XDjxgH83U24rQv0nXfcWD0MGmmDSHRDbMPo
|
1013 |
geodock/trainer/train.py |
sha256=gRuX_JgX92S26nyts1wi9q4at-YdBBVQZySm5qhpTyw
|
3280 |
geodock/trainer/utils.py |
sha256=-UWOAmZ2K3ifRyw77hXCqiKSYVJXAcyMi4fa9yp20F4
|
5198 |
geodock/utils/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
geodock/utils/compute_dockq.py |
sha256=IwW9_EOl9gOYinPZrjCZqs9Kl8sKMDSY3A2MtCeo7lE
|
4400 |
geodock/utils/coords6d.py |
sha256=5YJRqoMJ1KRLJynXIF7Z0m3SmVrZW9IgAeqsnOsgNZs
|
2734 |
geodock/utils/docking.py |
sha256=M0orpYlaJLk3YTQ1mCpuC0cPu1SmzJ_ZFopLft0SJWE
|
3368 |
geodock/utils/embed.py |
sha256=FzYTYMBVd34F4EgzbeC4tWxBSIyuQ2Q9xcRdZUlflww
|
3960 |
geodock/utils/loss.py |
sha256=7tacwhaFBQYyJ0xOcDOBOXmKlR_VA7fXzHcC1qH8uQQ
|
9741 |
geodock/utils/metrics.py |
sha256=n-0uyz-XIIhS1D5jzD_JJw7J5E-GAZYK9Iuz0zhz_vk
|
5385 |
geodock/utils/pdb.py |
sha256=M2W4DPsjQ6EtxVavE4AzqOyCr3MYOcCCWjGP4cplmHg
|
3686 |
geodock/utils/transforms.py |
sha256=BFc9CzIWim6U3hPiWA8PQSsSGz1Upvhhf8o1hjHedVg
|
18138 |
geodock-1.0.4.dist-info/LICENSE.md |
sha256=xnmkkmeQe4aSG4aNfXyjiA4a3sJmvX6R3AC7gFbuXaE
|
1065 |
geodock-1.0.4.dist-info/METADATA |
sha256=RYoOLg4wNzFy4n-TLEcvZqUkWwFh80MHI03bfPbJW-k
|
1243 |
geodock-1.0.4.dist-info/WHEEL |
sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A
|
92 |
geodock-1.0.4.dist-info/top_level.txt |
sha256=rYmb7lPNMmBtItCV7ZZdh_2YbJ17mNUFdbSL-rprTLk
|
8 |
geodock-1.0.4.dist-info/RECORD |
— |
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