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7 search results found

Awesome Pretrain On Molecules ⭐ 440

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

Best Of Atomistic Machine Learning ⭐ 203

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

Awesome Small Molecule Ml ⭐ 148

A curated list of resources for machine learning for small-molecule drug discovery

Awesome Drug Discovery Knowledge Graphs ⭐ 144

A collection of research papers, datasets and software related to knowledge graphs for drug discovery. Accompanies the paper "A review of biomedical datasets relating to drug discovery: a knowledge graph perspective" (Briefings in Bioinformatics, 2022)

Awesome Molecular Docking ⭐ 81

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

Awesome Computational Biology ⭐ 43

Awesome list of computational biology.

Awesome Ai Bioinformatics ⭐ 13

A curated list of awesome AI and Bioinformatics.

Awesome Ml For Biochemistry ⭐ 8

Community-curated resources for research at the intersection of AI and molecular sciences

Awesome Gnn Based Drug Discovery ⭐ 8

This is a curated list of resources and tools related to using Graph Neural Networks (GNNs) for drug discovery.

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