rdkit by rdkit

The official sources for the RDKit library

updated at Sept. 15, 2024, 8:25 a.m.

HTML

82 -1

2,591 +5

866 +1

GitHub
BioGPT by Microsoft

None

updated at Sept. 14, 2024, 11:45 p.m.

Python

69 +0

4,279 +1

449 +0

GitHub
esm by facebookresearch

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

updated at Sept. 14, 2024, 5:54 p.m.

Python

65 +1

3,130 +24

616 +1

GitHub
GenePT by yiqunchen

None

updated at Sept. 14, 2024, 12:20 a.m.

Jupyter Notebook

7 +0

166 +1

26 +0

GitHub
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 Sept. 13, 2024, 7:57 a.m.

Jupyter Notebook

8 +0

390 +3

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GitHub
DeepPurpose by kexinhuang12345

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

updated at Sept. 13, 2024, 7:45 a.m.

Jupyter Notebook

31 +0

951 +2

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GitHub
cdk by cdk

The Chemistry Development Kit

updated at Sept. 11, 2024, 5:12 a.m.

Java

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GitHub
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 Sept. 10, 2024, 7:41 a.m.

Python

2 +0

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GitHub
scPRINT by cantinilab

single cell foundation model for Gene network inference and more

updated at Sept. 9, 2024, 2:54 p.m.

Jupyter Notebook

0 +0

11 +0

0 +0

GitHub
GeneGPT by ncbi

Code and data for GeneGPT.

updated at Sept. 8, 2024, 10:46 a.m.

Python

18 +0

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26 +2

GitHub
DRKG by gnn4dr

A knowledge graph and a set of tools for drug repurposing

updated at Aug. 30, 2024, 6:16 p.m.

Jupyter Notebook

26 +0

574 +0

155 +0

GitHub
drGAT by inoue0426

None

updated at Aug. 30, 2024, 4:45 a.m.

Jupyter Notebook

3 +0

2 +0

0 +0

GitHub
NeoDTI by FangpingWan

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

updated at July 18, 2024, 2:40 a.m.

Python

5 +0

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GitHub
multi_channels_PINN by mhlee0903

None

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

Python

0 +0

3 +0

3 +0

GitHub