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Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science

Awesome Structural Bioinformatics ⭐ 54

Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.

Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)

A framework for rapidly mining structural information from the Protein Data Bank

Adme Pred Py ⭐ 16

Python implementation of common ADME properties.

Dionysus ⭐ 15

For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital Discovery: https://pubs.rsc.org/en/content/articlehtml/2023/d

An R package framework for accessing biological and chemical databases and developing or extending new connectors.

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