csu1505110121
A Post Doc. _AT_ University of California, Irvine
University of California, IrvineCalifornia
Pinned Repositories
AI4Science101
amp-tutorial
ana_pyrespgen
This repository contains homemade scripts utilized for project pyresp_gen
awesome-molecular-generation
Awesome papers related to generative molecular modeling and design.
Coarse-Graining-Auto-encoders
CodeEntropy
CodeEntropy is a python package and a collection of scripts that can be used to compute entropy using the multiscale-cell-correlation (MCC) theory from MD simulations.
csu1505110121.github.io
This is my First Blog!
cv
Dr. Geoff Boeing's academic CV in latex
energy_profile
This program is aimed for plotting energy profile
torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
csu1505110121's Repositories
csu1505110121/torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
csu1505110121/AI4Science101
csu1505110121/ana_pyrespgen
This repository contains homemade scripts utilized for project pyresp_gen
csu1505110121/awesome-molecular-generation
Awesome papers related to generative molecular modeling and design.
csu1505110121/Coarse-Graining-Auto-encoders
csu1505110121/CodeEntropy
CodeEntropy is a python package and a collection of scripts that can be used to compute entropy using the multiscale-cell-correlation (MCC) theory from MD simulations.
csu1505110121/csu1505110121.github.io
This is my First Blog!
csu1505110121/DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
csu1505110121/E2EDNA
csu1505110121/fmt-convert-and-info-extract
This repository contains scripts of converting different outputs generating by different softwares!
csu1505110121/fast_forward
Map atomistic trajectories to CG Martini level fast and compute interactions
csu1505110121/freeenergy
csu1505110121/generative-ai-for-beginners
18 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/
csu1505110121/GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
csu1505110121/mdtraj
An open library for the analysis of molecular dynamics trajectories
csu1505110121/mstool
Multiscale Simulation Tools for Mapping, Backmapping, and Loop Modeling.
csu1505110121/mxfold2
MXfold2: RNA secondary structure prediction using deep learning with thermodynamic integration
csu1505110121/nox-bdh
Rosetta Files Related to the engineering of Nox and Bdh enzymes
csu1505110121/openawsem
An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
csu1505110121/ParmEd
Parameter/topology editor and molecular simulator
csu1505110121/PathDetect-SOM
A tool for the analysis of pathways sampled in molecular dynamics simulations based on Self-Organizing Maps (SOM)
csu1505110121/preNet
This is a part of my graduation project, where you can train a Convolution Network named preNet to predict and understand the mechanism of pre-let-7/LIN28A axis. Welcome to download, run and evaluate my work !
csu1505110121/ProDy
A Python Package for Protein Dynamics Analysis
csu1505110121/pyresp_gen
A script for automatically generating 1st and 2nd stage input file for PyRESP
csu1505110121/q_ACSF_logP_prediction
csu1505110121/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
csu1505110121/SAMPL5
Archived input files from the SAMPL5 challenge
csu1505110121/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
csu1505110121/self-assembly
Self-Assembly
csu1505110121/vim-plug-config
vim plug config backup