schwallergroup / minervaLinks
☆18Updated 6 months ago
Alternatives and similar repositories for minerva
Users that are interested in minerva are comparing it to the libraries listed below
Sorting:
- ☆60Updated 5 months ago
- Augmented Memory and Beam Enumeration implementation☆25Updated last year
- Machine Learning model for molecular micro-pKa prediction☆46Updated last year
- Generates and scores synthetically tractable elaborations from fragment screens☆17Updated last week
- Mordred port in cpp☆50Updated 9 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆43Updated 4 months ago
- ☆26Updated last week
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆28Updated last year
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated last year
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆74Updated 6 months ago
- Converts clipboard content to smiles and much more☆64Updated last year
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆27Updated last year
- Dynamic pharmacophore modeling of molecular interactions☆36Updated last year
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44Updated 6 months ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"