woshixuhao / ML-Prediction-for-Rf-valuesLinks
ML Prediction for Rf values
☆11Updated 3 years ago
Alternatives and similar repositories for ML-Prediction-for-Rf-values
Users that are interested in ML-Prediction-for-Rf-values are comparing it to the libraries listed below
Sorting:
- ☆10Updated 2 years ago
- Smash molecule and obtain significant fragments☆19Updated 4 years ago
- This package is a python warpper for CFM-ID☆13Updated 3 years ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆87Updated last month
- The dataset, code, and software for the paper 'Retention Time Prediction for Chromatographic Enantioseparation by Quantile Geometry-enhan…☆19Updated 2 years ago
- Get chemical SMILES strings (structures) based on the CAS numbers or the names of the chemicals.☆44Updated 3 years ago
- Python tool for generate fingerprints of a molecule☆85Updated 5 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated this week
- A Consensus Docking Plugin for PyMOL☆79Updated last year
- Interactive data analysis and visualisation with chemical intelligence☆134Updated last week
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes