Name: Yingze Wang
Type: User
Company: University of California, Berkeley
Bio: 2nd PhD student in UCBerkeley. Interested in various topics in theoretical & computational chemistry, such as force field development, ML in Chem etc.
Location: Berkeley, CA
Yingze Wang's Projects
A deep learning package for many-body potential energy representation and molecular dynamics
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
The deep potential generator
Experimental and calculated small molecule hydration free energies
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
Molokai color scheme for Vim
A lightweight Release-tracking repository for nlohmann/json. Suitable for CMake fetchcontent. Automatically upgraded every weeks.
Force fields produced by the Open Force Field Initiative
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Parameter/topology editor and molecular simulator
Quantum to Molecular Mechanics (Q2MM)
A Python Wrapper for Mainstream RESP Charges Calculator
Scripts to calculate solvation free energy with GROMACS and alchemlyb
This is a repository for codes during sympy learning.
DeepPotential Model for tyk2