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DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
GNU Lesser General Public License v3.0
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fix bug in ver requirements
#188
Closed
ChiahsinChu
closed
1 month ago
ChiahsinChu
commented
1 month ago
jax <=0.4.20 for
from jax.config import config
in
dmff.setting
See
https://github.com/jax-ml/jax/discussions/18403
for further update
numpy < 2.0 for openmm plugin
from jax.config import config
indmff.setting