Matgen-project

Matgen-project's repositories

Language:Python000

Deep learning model for predicting adsorption isotherms of MOFs

Language:PythonMIT1100

A directed graph-based deep learning model for predicting material properties based on the CMPNN framework.

Language:PythonMIT000

A DFT computation workflow for ABACUS software.

Language:PythonMIT000

A workflow for identitying 2D mateirals and obtaining exfoliation energy.

Language:PythonMIT000

A MC computation workflow for MOF materials.

Language:PythonMIT000

An automated workflow for performing high throughput computatations on Tian-he2 supercomputer.

Language:Python100

A package for Matgen database API.

Language:Python000

A infrastructure toolkit for Matgen platform.

100

3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.

MIT000

A high-throughput molecular dynamics workflow to compute thermophysical properties and microstructure information of molten halide salts

MIT000

A Framework for Accelerating High-throughput Virtual Drug Screening on High-Performance Computers.

GPL-3.0000