oxpig / CoPriNetLinks
Deep learning for compound price prediction
☆19Updated 11 months ago
Alternatives and similar repositories for CoPriNet
Users that are interested in CoPriNet are comparing it to the libraries listed below
Sorting:
- ☆28Updated last year
- ☆29Updated last year
- ☆37Updated last year
- ☆34Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- ☆46Updated 4 years ago
- Synthetic Bayesian Classification☆44Updated 4 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆33Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆47Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆25Updated 9 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆40Updated 3 weeks ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- ☆21Updated 4 years ago
- Yet another ML method comparison☆16Updated 2 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 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
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆25Updated 2 months ago
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated 2 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Mordred port in cpp☆49Updated 5 months ago
- ☆23Updated 4 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Updated 2 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 6 months ago