Published June 30, 2023
| Version v1
Dataset
Open
PIGNet2: A versatile deep learning-based protein-ligand interaction prediction model for accurate binding affinity scoring and virtual screening
- 1. Dept. of Chemistry, KAIST
- 2. HITS Incorporation
- 3. Dept. of Chemistry, KAIST / HITS Incorporation / KI for Artificial Intelligence, KAIST
Description
Training and test datasets of the paper "Improving the versatility of deep learning-based protein-ligand interaction prediction for accurate binding affinity scoring and virtual screening".
Files
Files
(4.7 GB)
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md5:0f66ecd484dd6a78846795acfbcde870
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13.7 MB | Download |
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md5:2373a301dba79e90a985ea48341ed50c
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584.9 kB | Download |
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md5:87d6534804ca7a7190d26b3afa707f2d
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935.7 MB | Download |
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md5:1249c97760ade93032385415b885648b
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131.5 kB | Download |
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md5:9d0ab91695a8db85863ffef3b7e43349
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1.3 GB | Download |
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md5:181697b3d205abc0db2d5c2c1d8518f9
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574.0 MB | Download |
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md5:16b9c9790042aee639f77abbeda9df76
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296.2 MB | Download |
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md5:1e53b13b6634ee255fe0691b31264ac7
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593.2 MB | Download |
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md5:394f193108fdd82e4caf794040c4c98f
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1.0 GB | Download |
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md5:7b02ecff57ebcb03a942bc6792277ff1
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10.4 MB | Download |