pengfeili1 Goto Github PK
Name: Pengfei Li
Type: User
Pengfei Li's Projects
autodock-gpu
AutoDock for GPUs and other accelerators
clasp
clasp Common Lisp environment
forcebalance
Systematic force field optimization.
gamd-openmm
Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost potential to smooth the potential energy surface and reduce system energy barriers. http://miao.compbio.ku.edu/GaMD/
molmodsummer
Molmod for thesis
nglview
IPython widget to interactively view molecular structures and trajectories
opendl
屹立深度之巅
openmm_gamd
Gaussian accelerated Molecular Dynamics in OpenMM
openmoltools
An open set of tools for automating tasks relating to small molecules
openpy
完全用python工作
parmed
Parameter/topology editor and molecular simulator
pengfeili1.github.io
pymsmt
Python Metal Site Modeling Toolbox
quick
QUICK, a GPU-enabled ab intio quantum chemistry software
spoon-knife
This repo is for demonstration purposes only.
subtreetest
Subtree_test
testing
westpa
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
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