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Author:
None
Summary:
ACEMD is the next generation molecular dynamic simulation software
Latest version:
4.0.20.post2
Required dependencies:
moleculekit
|
natsort
|
openmm
|
pyyaml
|
requests
Optional dependencies:
acellera-openff-interchange
|
acellera-openff-toolkit
|
acellera-openff-units
|
acellera-openff-utilities
|
acellera-openforcefields
|
acellera-openmmforcefields
|
cachetools
|
huggingface_hub
|
lxml
|
nvidia-cublas-cu12
|
nvidia-cublas-cu13
|
nvidia-cudnn-cu12
|
nvidia-cudnn-cu13
|
nvidia-cusparse-cu12
|
nvidia-cusparse-cu13
|
nvidia-cusparselt-cu12
|
nvidia-cusparselt-cu13
|
openmm
|
openmm-cuda-12
|
openmm-cuda-13
|
openmm-torch-cuda-12
|
openmm-torch-cuda-13
|
openmm-torch-unofficial-cpu
|
openmmtorch
|
pydantic
|
python-constraint
|
torch
|
torchani
|
torchmd-net
|
xmltodict
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