Add demo project

Author: plainerman

.gitignore

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+models_variational_gp/
+
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+

README.md

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+# Packages
+
+You can use the `environment.yml` file, BUT  it is only for CPU.
+
+openmm, dmff, mdtraj
+
+openmm needs to be installed by conda following the instruction
+
+mdtraj is easy to install 
+
+dmff needs to be installed from source code https://github.com/deepmodeling/DMFF/blob/master/docs/user_guide/2.installation.md
+you can install it with 
+
+```
+pip install dmff @ git+https://github.com/deepmodeling/[email protected]
+```
+
+# Run the code 
+```
+python main_md.py
+```