eren125's Stars
open-reaction-database/ord-schema
Schema for the Open Reaction Database
iRASPA/RASPA2
Classical molecular simulation code
richardjgowers/zeoplusplus
Mirror of http://zeoplusplus.org/
Luthaf/zeopp
zeo++ fork
TencentARC/GFPGAN
GFPGAN aims at developing Practical Algorithms for Real-world Face Restoration.
Sangwon91/PORMAKE
Python library for the construction of porous materials using topology and building blocks.
ayl23/TDA_cages
andrewtarzia/cage_datasets
collection of cage structures extracted from the CSD and analyzed
hspark1212/MOFTransformer
Universal Transfer Learning in Porous Materials, including MOFs.
coudertlab/amof
A python package to analyze Molecular Dynamics (MD) trajectories of amorphous Metal-Organic Frameworks (MOFs).
coudertlab/CrystalNets.jl
A julia package for the manipulation of crystal net representations and topology
sparks-baird/mat_discover
A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
mljar/mljar-supervised
Python package for AutoML on Tabular Data with Feature Engineering, Hyper-Parameters Tuning, Explanations and Automatic Documentation
dabeenoh/TravelChatbot-
Andrew-S-Rosen/QMOF
The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
abraunegg/onedrive
OneDrive Client for Linux
materialsvirtuallab/maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
fxcoudert/zeolite_databases
Databases of zeolitic structures