czodrowskilab / 5minfame
☆35Updated last year
Alternatives and similar repositories for 5minfame:
Users that are interested in 5minfame are comparing it to the libraries listed below
- Deep learning for compound price prediction☆19Updated 5 months ago
- ☆29Updated last year
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆33Updated this week
- Repository for the SCS Spring School on Digital Chemistry☆20Updated last year
- ☆33Updated 10 months ago
- ☆28Updated last year
- Practical Cheminformatics Blog Posts☆56Updated last week
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 2 years ago
- ☆44Updated 4 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆33Updated last year
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆23Updated 2 months ago
- Dynamic pharmacophore modeling of molecular interactions☆34Updated 9 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- cime public repository☆33Updated 2 years ago
- Quick and dirty protonation☆16Updated 2 years ago
- Synthetic Bayesian Classification☆40Updated 4 years ago
- Cloud-based Drug Binding Structure Prediction☆34Updated last week
- ☆25Updated last year
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆17Updated 4 months ago
- ☆42Updated 2 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆64Updated last year
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆28Updated last year
- Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆48Updated last week
- Machine learning accelerated docking screens☆27Updated last week
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year
- A Python toolbox to work with molecular similarity☆36Updated 5 months ago