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Achievement: Arctic Code Vault ContributorAchievement: Pull Shark

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fastai / fastai

The fastai deep learning library

Jupyter Notebook 27,970 7,672 Updated Apr 6, 2026

Ryan-Rhys / The-Photoswitch-Dataset

Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/content/articlehtml/2022/sc/d2sc04306h

Python 91 14 Updated Mar 12, 2023

PatWalters / Free-Wilson

An implementation of the Free-Wilson SAR analysis method using the RDKit

Python 62 12 Updated Sep 5, 2022

rdkit / rdkit

The official sources for the RDKit library

HTML 3,387 999 Updated Apr 10, 2026

Acellera / htmd

HTMD: Programming Environment for Molecular Discovery

Rich Text Format 274 59 Updated Apr 8, 2026