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libdeepmd
|
public |
A deep learning package for many-body potential energy representation and molecular dynamics
|
2024-07-04 |
|
horovod
|
public |
Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.
|
2024-04-22 |
|
deepmd-kit
|
public |
A deep learning package for many-body potential energy representation and molecular dynamics
|
2024-04-06 |
|
plumed
|
public |
Free energy calculations in molecular systems
|
2023-11-06 |
|
pylammps
|
public |
LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator.
|
2023-11-05 |
|
lammps
|
public |
LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator.
|
2023-11-05 |
|
mpi4py
|
public |
Python bindings for MPI
|
2023-11-05 |
|
typeguard
|
public |
Runtime type checker for Python
|
2023-10-29 |
|
dargs
|
public |
No Summary
|
2023-10-29 |
|
hatch-fancy-pypi-readme
|
public |
Fancy PyPI READMEs with Hatch
|
2023-10-24 |
|
dpdata
|
public |
No Summary
|
2023-09-27 |
|
dpdispatcher
|
public |
No Summary
|
2023-09-27 |
|
importlib_resources
|
public |
Backport of Python 3.7's standard library `importlib.resources`
|
2023-09-27 |
|
importlib-resources
|
public |
Backport of Python 3.7's standard library `importlib.resources`
|
2023-09-27 |
|
scikit-build-core
|
public |
Build backend for CMake based projects
|
2023-09-27 |
|
libgrpc
|
public |
gRPC - A high-performance, open-source universal RPC framework
|
2023-08-30 |
|
grpcio
|
public |
gRPC - A high-performance, open-source universal RPC framework
|
2023-08-30 |
|
tensorflow-estimator
|
public |
An Open Source Machine Learning Framework for Everyone.
|
2023-08-11 |
|
abacus
|
public |
An electronic structure package based on plane wave and numerical atomic basis sets.
|
2023-08-11 |
|
nccl
|
public |
Optimized primitives for collective multi-GPU communication
|
2023-08-04 |
|
nvcc_linux-64
|
public |
A meta-package to enable the right nvcc.
|
2023-08-04 |
|
gromacswrapper
|
public |
A python wrapper around the Gromacs tools.
|
2023-06-18 |
|
numkit
|
public |
numerical first aid kit
|
2023-06-18 |
|
cudnn
|
public |
NVIDIA's cuDNN deep neural network acceleration library
|
2023-06-18 |
|
cudatoolkit
|
public |
CUDA Toolkit - Including CUDA runtime
|
2023-06-18 |
|
absl-py
|
public |
Abseil Python Common Libraries, see https://github.com/abseil/abseil-py.
|
2023-06-18 |
|
pylammps-dp
|
public |
LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator.
|
2023-06-18 |
|
tensorflow
|
public |
An Open Source Machine Learning Framework for Everyone.
|
2023-06-16 |
|
tensorflow-io-gcs-filesystem
|
public |
No Summary
|
2023-06-16 |
|
backrefs
|
public |
A wrapper around re and regex that adds additional back references.
|
2023-06-16 |
|
bracex
|
public |
Bash style brace expander.
|
2023-06-16 |
|
wcmatch
|
public |
Wildcard/glob file name matcher.
|
2023-06-16 |
|
openmm_deepmd_plugin
|
public |
OpenMM Plugin for Deepmd-kit.
|
2023-06-16 |
|
nocuda
|
public |
No Summary
|
2023-06-16 |
|
dpgen
|
public |
No Summary
|
2023-06-16 |
|
vim
|
public |
Vim is a greatly improved version of the good old UNIX editor Vi
|
2023-06-16 |
|
python-hostlist
|
public |
The Python module hostlist.py knows how to expand and collect LLNL hostlists, as used by SLURM, pdsh, powerman, and genders, among other projects
|
2023-06-16 |
|
popt
|
public |
Popt is a C library for parsing command line parameters.
|
2023-06-16 |
|
rsync
|
public |
Tool for fast incremental file transfer
|
2023-06-16 |
|
libtensorflow_cc
|
public |
An Open Source Machine Learning Framework for Everyone.
|
2023-06-16 |
|
lammps-dp
|
public |
No Summary
|
2023-06-16 |
|
monty
|
public |
Monty is the missing complement to Python.
|
2023-06-16 |
