piwheels

chgnet

Pretrained Universal Neural Network Potential for Charge-informed Atomistic Modeling

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install chgnet

Dependencies

• torch
• typing-extensions
• ase
• cython
• pymatgen
• numpy
• nvidia-ml-py3

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
0.4.0	2024-09-16
chgnet-0.4.0-cp311-cp311-linux_armv6l.whl (9 MB) chgnet-0.4.0-cp311-cp311-linux_armv7l.whl (9 MB)
0.3.8	2024-06-05
0.3.7 yanked	2024-06-01
0.3.5	2024-03-12
0.3.4	2024-02-08
0.3.3	2023-12-08
0.3.2	2023-11-19
0.3.1	2023-10-23
0.3.0 yanked	2023-10-23
0.2.2	2023-10-12
0.2.1	2023-09-19
0.2.0 yanked	2023-07-22
chgnet-0.2.0-py3-none-any.whl (4 MB)
0.1.4	2023-06-24
chgnet-0.1.4-py3-none-any.whl (4 MB)
0.1.3	2023-05-06
chgnet-0.1.3-py3-none-any.whl (4 MB)
0.1.2	2023-05-05
chgnet-0.1.2-py3-none-any.whl (4 MB)

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