Package Insights
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Dependencies
- ase
- configargparse
- e3nn ==0.4.4
- gitpython
- h5py
- lmdb
- matplotlib
- matscipy
- numpy
- opt-einsum
- orjson
- pandas
- prettytable
- python-hostlist
- pyyaml
- torch >=1.12
- torch-ema
- torchmetrics
- tqdm
14 optional dependencies
- black[dev]
- cuequivariance-ops-torch-cu11[cueq-cuda-11]
- cuequivariance-ops-torch-cu12[cueq-cuda-12]
- cuequivariance-torch[cueq]
- fpsample[fpsample]
- isort[dev]
- mypy[dev]
- pre-commit[dev]
- pylint[dev]
- pytest[dev]
- pytest-benchmark[dev]
- schedulefree[schedulefree]
- torch-sim-atomistic[torchsim]
- wandb[wandb]
Used By
- carcara
- lavello-mlips
- cof-landscaper
- mace-models
- vasp-mace
- autoplex
- chemgraphagent
- nablachem
- crystalyse-ai
- lammps-mdi
- deepmd-gnn
- neural-optimiser
- amaceing-toolkit
- so3krates-torch
- mace-mcp-server
- xtalmet
- quasar-core
- alomancy
- lineshape-tools
- cryspr
- simgen
- crystalyse
- strain-relief
- mace-inference
- hydromace
- microstack
- ips-mace
- zndraw-utils
- process-omol25