Reverse Dependencies of datamol

The following projects have a declared dependency on datamol:

• auroris — Data Curation in Polaris
• etflow — Equivariant Flow Matching for Molecular Conformer Generation
• graphium — Graphium: Scaling molecular GNNs to infinity.
• maligner — An Open-Source Molecular Alignment Tool
• medchem — Medchem: Molecular filtering for drug discovery.
• molbeam-fp — no summary
• molfeat — molfeat - the hub for all your molecular featurizers
• molfeat-hype — molfeat plugin that leverages the most hyped LLM models in NLP for molecular featurization
• moll — no summary
• onglai-classify-homologues — A cheminformatics algorithm to classify homologous series.
• openqdc — ML ready Quantum Mechanical datasets
• polaris-lib — Client for the Polaris Hub.
• pollychem — no summary
• posecheck — A library for benchmarking poses of 3D SBDD models
• safe-mol — Implementation of the 'Gotta be SAFE: a new framework for molecular design' paper
• schemist — Organizing and processing tables of chemical structures.
• smexplainer — A python library to work with molecules. Built on top of RDKit.
• splito — Machine Learning dataset splitting for life sciences.