Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists by ecrl
A curated list of projects in awesome lists by ecrl .
https://github.com/ecrl/padelpy
A Python wrapper for PaDEL-Descriptor software
command-line-wrapper computational-chemistry molecular-descriptors molecular-fingerprints padel python
Last synced: 20 Dec 2024
https://github.com/ecrl/graphchem
Graph-based machine learning for chemical property prediction
computational-chemistry graph-neural-networks message-passing pytorch pytorch-geometric rdkit
Last synced: 18 Dec 2024
https://github.com/ecrl/ecnet
QSPR-based machine learning for fuel property prediction
cetane-number computational-chemistry fuel-property-prediction machine-learning neural-network pytorch qspr
Last synced: 21 Nov 2024
https://github.com/ecrl/ecabc
Artificial Bee Colony for generic feature tuning
artificial-bee-colony feature-tuning hyperparameter-optimization neural-network
Last synced: 21 Nov 2024
https://github.com/ecrl/alvadescpy
A Python wrapper for alvaDesc software
command-line-wrapper computational-chemistry molecular-descriptors molecular-fingerprints
Last synced: 21 Nov 2024
https://github.com/ecrl/database-web-app
A comprehensive database of combustion properties for over 1,200 compounds
cetane-number combustion computational-chemistry database docker energy-density mongodb octane yield-sooting-index
Last synced: 21 Nov 2024
https://github.com/ecrl/prediction-web-app
A web application for predicting chemical properties relevant to combustion
Last synced: 21 Nov 2024
https://github.com/ecrl/publication_procedures
Python scripts/notebooks for ECRL's publications
Last synced: 21 Nov 2024