czodrowskilab / 5minfameLinks
☆37Updated last year
Alternatives and similar repositories for 5minfame
Users that are interested in 5minfame are comparing it to the libraries listed below
Sorting:
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆39Updated this week
- ☆28Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆20Updated 2 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- ☆34Updated last year
- Mordred port in cpp☆49Updated 3 months ago
- Deep learning for compound price prediction☆19Updated 9 months ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆35Updated last year
- ☆29Updated last year
- Materials from the 2023 RDKit UGM☆34Updated last year
- A Python toolbox to work with molecular similarity☆40Updated 9 months ago
- ☆43Updated 3 years ago
- Machine learning accelerated docking screens☆53Updated 4 months ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆29Updated this week
- Practical Cheminformatics Blog Posts☆61Updated this week
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆29Updated last year
- ☆65Updated last year
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- ☆45Updated 4 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated last year
- ☆27Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 7 months ago
- Synthetic Bayesian Classification☆43Updated 4 years ago
- Quick and dirty protonation☆16Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- Package for consistent reporting of relative free energy results☆39Updated last month