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:
- ☆29Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆20Updated 2 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- ☆28Updated last year
- Synthesis generative model☆46Updated 2 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆40Updated last week
- Quick and dirty protonation☆16Updated 3 years ago
- ☆34Updated last year
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- Practical Cheminformatics Blog Posts☆64Updated last week
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 8 months ago
- Deep learning for compound price prediction☆19Updated 10 months ago
- Mordred port in cpp☆50Updated 4 months ago
- ☆44Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆36Updated last year
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)☆32Updated 2 years ago
- ☆27Updated 3 years ago
- A Python toolbox to work with molecular similarity☆41Updated 11 months ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated 11 months ago
- Synthetic Bayesian Classification☆44Updated 4 years ago
- ☆45Updated 4 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆18Updated 9 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆37Updated last month
- ☆27Updated last year
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated last year