oxpig / CoPriNetLinks
Deep learning for compound price prediction
☆19Updated last year
Alternatives and similar repositories for CoPriNet
Users that are interested in CoPriNet are comparing it to the libraries listed below
Sorting:
- ☆28Updated last year
- ☆37Updated 2 years ago
- ☆30Updated last year
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆27Updated 10 months ago
- Synthetic Bayesian Classification☆45Updated 4 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆47Updated 4 years ago
- ☆34Updated last year
- ☆46Updated 4 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆42Updated last month
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- Simple, lightweight package for genetic algorithms on molecules☆56Updated 9 months ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last year
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- Mordred port in cpp☆50Updated 6 months ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆33Updated last year
- ☆28Updated 2 years ago
- fastsolv python package, website, and paper code☆26Updated 3 weeks ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 5 months ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- ☆21Updated 4 years ago
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆37Updated 2 weeks ago
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Updated 2 years ago
- A Python toolbox to work with molecular similarity☆42Updated last year
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆47Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- ☆34Updated 3 years ago
- Practical Cheminformatics Blog Posts☆66Updated last month
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆70Updated 2 months ago