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Awesome Computational Biology

Awesome list of computational biology.

Here you can see meta information about this topic like the time we last updated this page, the original creator of the awesome list and a link to the original GitHub repository.

Last Update: Sept. 27, 2022, 6:17 p.m.

Thank you inoue0426 & contributors
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inoue0426/awesome-computational-biology

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Compound

Pathway

Mass Spectra

Protein

Genome

Disease

Interaction

Preprocess

The Chemistry Development Kit

352
145
115d
LGPL-2.1

The official sources for the RDKit library

1.65K
669
116d
BSD-3-Clause

Drug Repurposing

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

584
188
4m
BSD-3-Clause

A knowledge graph and a set of tools for drug repurposing

387
107
5m
Apache-2.0

Drug Target Interaction

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

57
33
1y 4m
Apache-2.0

Compound Protein Interaction

TransformerCPI: Improving compoundโ€“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

67
28
1y 10m
Apache-2.0