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atomistic-machine-learning / schnetpack-gschnet

G-SchNet extension for SchNetPack
MIT License
45 stars 8 forks source link

Updates for version 1.1.0 #15

Closed NiklasGebauer closed 2 months ago

NiklasGebauer commented 2 months ago

Updates of configurations, scripts, and dependencies for version 1.1.0 of schnetpack-gschnet.