esm by facebookresearch

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

updated at May 12, 2024, 3:16 a.m.

63 +2

2,860 +20

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bert-loves-chemistry by seyonechithrananda

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

updated at May 11, 2024, 8:10 p.m.

8 +0

363 +4

59 +1

cdk by cdk

The Chemistry Development Kit

updated at May 11, 2024, 9:14 a.m.

41 +0

468 +0

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rdkit by rdkit

The official sources for the RDKit library

updated at May 11, 2024, 7:28 a.m.

82 +0

2,440 +12

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DRKG by gnn4dr

A knowledge graph and a set of tools for drug repurposing

updated at May 10, 2024, 3:37 p.m.

26 +0

554 +5

153 +0

BioGPT by Microsoft

None

updated at May 10, 2024, 10:46 a.m.

70 +0

4,233 +0

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DeepPurpose by kexinhuang12345

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

updated at May 6, 2024, 4:37 p.m.

30 +0

918 +2

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transformerCPI by lifanchen-simm

TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524

updated at April 24, 2024, 4:44 p.m.

2 +0

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NeoDTI by FangpingWan

NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions

updated at March 19, 2024, 1:57 a.m.

5 +0

72 +0

33 +0

multi_channels_PINN by mhlee0903

None

updated at Aug. 25, 2023, 8:38 a.m.

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3 +0

3 +0