Congcong Sun's repositories
ccsun21.github.io
Git repository for ccsun21.github.io
covalent-slurm-plugin
Executor plugin interfacing Covalent with Slurm
cp2kdata
cp2k postprocessing tools
datalab
datalab is a place to store experimental data and the connections between them.
dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
full-stack-fastapi-template
Full stack, modern web application template. Using FastAPI, React, SQLModel, PostgreSQL, Docker, GitHub Actions, automatic HTTPS and more.
molstar
A comprehensive macromolecular library
molwall
MolWall: "Wall of molecules" interface to see and rate molecules
pyGSM
Thermal and photochemical reaction path optimization and discovery
pyMCD
python code for Multi-Coordinate Driving (MCD) method
pynta
Pynta - an automated workflow for reaction path exploration on metallic surfaces
pysisyphus
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
reacnetgenerator
an automatic reaction network generator for reactive molecular dynamics simulation
react-flask-hello
Create web applications with React and connected them to your own Python Flask backend API. Compatible with Gitpod.
segment-anything-gradio-ui
A segment anything gradio ui demo.
sella
A Python software package for saddle point optimization and minimization of atomic systems.
solvation-analysis
A comprehensive tool for analyzing liquid solvation structure.
Streamlit-Image-Annotation
Streamlit component for image annotation.
windows
Windows in a Docker container.