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pnnl / isicle

In silico chemical library engine for high-accuracy chemical property prediction
BSD 3-Clause "New" or "Revised" License
58 stars 19 forks source link

Version change #19

Closed jessbade closed 10 months ago

jessbade commented 1 year ago

Updates RDKit requirements to fix osx-arm64 install issues (>=2023.09.1)

RDKit conda-forge feedstock fixing issue see: conda-forge/rdkit-feedstock/pull/121

Resolves: Issue #18

Updates GitHub actions to recent checkout, miniconda versions. Resolves RDKit package not found error with miniforge-version restriction.