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:
- ☆31Updated 2 years ago
- ☆28Updated last year
- ☆38Updated 2 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- ☆35Updated last year
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Updated 4 years ago
- ☆47Updated 5 years ago
- Yet another ML method comparison☆16Updated 3 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆45Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆46Updated 3 months ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆45Updated 2 months ago
- ☆29Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆42Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆29Updated last year
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Updated last year
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Updated 3 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated last week
- Dynamic pharmacophore modeling of molecular interactions☆38Updated last year
- ☆23Updated 5 years ago
- faster docking☆19Updated 4 years ago
- A Python toolbox to work with molecular similarity☆43Updated 3 months ago
- pythonic interface to virtual screening software☆91Updated 4 months ago
- Mordred port in cpp☆50Updated 10 months ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44Updated 7 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- The official repository of Uni-pKa☆89Updated 9 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 9 months ago