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ORB forcefield models from Orbital Materials
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15
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Fix enable/disable stress in `finetune.py` (#155)
d839657View on GitHubReimplement from_ase_atoms_list with parallel Alchemi-based graph construction (#154)
b0ace47View on GitHubAdded dftd3_parameters.pt to the package (#151)
12fd31dView on GitHubEnable stress prediction for orb-v3-conservative-omol (#150)
095cd1fView on GitHubAlchemiops KNN+D3, TorchSim, Refactor (#143)
d5afa35View on GitHubEnhanced finetune.py with custom loss weights and reference energies (#133)
69277a6View on GitHubHighlight in MODELS.md that OrbMol models are for non-periodic systems only (#126)
6ac855dView on GitHubUse pypi instead of nvidia repo for cuml (#129)
5a6ba14View on GitHub