PyPI page
Home page
Author:
Eric Boittier
Summary:
karml (pronounced Karamell): machine-learned potentials in molecular-mechanics MD
Latest version:
0.1.0a1
Required dependencies:
apsw
|
ase
|
chemcoord
|
e3x
|
fastapi
|
flax
|
h5py
|
jax
|
jax-md
|
jaxlib
|
jaxtyping
|
matplotlib
|
ml-dtypes
|
numba
|
numpy
|
optax
|
orbax-checkpoint
|
pandas
|
patchworklib
|
pillow
|
pint
|
plotnine
|
pymbar
|
pyyaml
|
rich
|
scipy
|
tblite
|
tqdm
|
umap-learn
|
uvicorn
Optional dependencies:
argcomplete
|
asciichartpy
|
asv
|
basis-set-exchange
|
chemcoord
|
cmap
|
cmcrameri
|
cupy-cuda12x
|
cupy-cuda13x
|
cutensor-cu12
|
cutensor-cu13
|
dscribe
|
e3x
|
fastparquet
|
geometric
|
gpu4pyscf-cuda12x
|
gpu4pyscf-cuda13x
|
gpu4pyscf-libxc-cuda12x
|
gpu4pyscf-libxc-cuda13x
|
griddataformats
|
hydra-core
|
hydra-optuna-sweeper
|
ipykernel
|
ipython
|
ipywidgets
|
jax
|
jax-pme
|
jupyter-client
|
jupyter-core
|
karml
|
lovely-jax
|
mda-xdrlib
|
mdanalysis
|
metatomic-ase
|
metatomic-torch
|
metatrain
|
mkdocs
|
mkdocs-material
|
mkdocstrings
|
mmtf-python
|
molzip
|
mpi4py
|
mrcfile
|
nbformat
|
nvalchemi-toolkit-ops
|
nvidia-cudnn-cu13
|
omegaconf
|
patchworklib
|
plotly
|
plotnine
|
polars
|
pubchempy
|
py3dmol
|
pyarrow
|
pymbar
|
pyscf
|
pyscf-dispersion
|
pytest
|
pytest-cov
|
pyxtal
|
reportlab
|
ruff
|
scienceplots
|
seaborn
|
sphynx
|
tblite
|
upet
|
vesin
|
vulture
|
wandb
Downloads last day:
2
Downloads last week:
119
Downloads last month:
0
7-day smoothing