CHGNet
github.com/cedergrouphub/chgnetUniversal pretrained neural network potential with charge and magnetic moment awareness, trained on 1.5M+ Materials Project inorganic structures for charge-informed molecular dynamics and phase diagram prediction (Berkeley, Nature Machine Intelligence 2023 Cover)
Sourced from
- Awesome Python Chemistry — github.com/cedergrouphub/chgnet
- GitHub — github.com/cedergrouphub/chgnet
- Awesome AI for Science — github.com/cedergrouphub/chgnet
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