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@chrisiacovella chrisiacovella released this 13 Aug 18:46
· 716 commits to main since this release
v0.1.0
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Learn about vigilant mode.

This is the initial release of the modelforge package.

This provides support for training several different Neural Network Potentials, including SchNet and ANI2x (Invariant architectures) and PaiNN, PhysNet, TensorNet, and SAKE (Equivariant architectures) using several curated datasets (QM9, ANI1x, ANI2x, SPICE 1, SPICE 1 openff, SPICE 2, and PhAlkEthOH openff).

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