Matgen-project's repositories
Language:Python000
CrystalNet
A directed graph-based deep learning model for predicting material properties based on the CMPNN framework.
Language:PythonMIT000
ABACUSflow
A DFT computation workflow for ABACUS software.
Language:PythonMIT000
2DMatflow
A workflow for identitying 2D mateirals and obtaining exfoliation energy.
Language:PythonMIT000
MOFflow
A MC computation workflow for MOF materials.
Language:PythonMIT000
matgen_rester
A package for Matgen database API.
Language:Python000
Matgen-toolkit
A infrastructure toolkit for Matgen platform.
3DStructGen
3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.
MIT000
Molten-Salt-Simulation-Toolkit
A high-throughput molecular dynamics workflow to compute thermophysical properties and microstructure information of molten halide salts
MIT000
HHVSF
A Framework for Accelerating High-throughput Virtual Drug Screening on High-Performance Computers.
GPL-3.0000