DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
DeePMD-kit Node.js package to infer Deep Potential models.
npm i deepmd-kit
# Or if you want to install globally
npm i -g deepmd-kit
Firstly, install Node.js, SWIG (v4.1.0 for Node.js v12-v18 support), and node-gyp globally.
When using CMake to build DeePMD-kit, set argument BUILD_NODEJS_IF=ON and NODEJS_INCLUDE_DIRS=/path/to/nodejs/include (the path to the include directory of Node.js):
cmake -D BUILD_NODEJS_IF=ON \
-D NODEJS_INCLUDE_DIRS=/path/to/nodejs/include \
.. # and other arguments
make
make install
After installing DeePMD-kit, two files, bind.gyp and deepmdJAVASCRIPT_wrap.cxx will be generated in source/nodejs.
Go to this directory, and install the package globally:
cd $deepmd_source_dir/source/nodejs
npm i
npm link
See tests/test_deeppot.js for an simple example.
cd tests
node test_deeppot.js
FAQs
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
The npm package deepmd-kit receives a total of 0 weekly downloads. As such, deepmd-kit popularity was classified as not popular.
We found that deepmd-kit demonstrated a not healthy version release cadence and project activity because the last version was released a year ago. It has 1 open source maintainer collaborating on the project.
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