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:
- ☆29Updated 3 weeks ago
- ☆31Updated 2 years ago
- ☆35Updated last year
- ☆38Updated 2 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆46Updated last month
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 4 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆46Updated 2 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Updated 4 years ago
- ☆49Updated 5 years ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆58Updated 2 years ago
- ☆29Updated 2 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆48Updated last year
- Updated version of Silicos-it's shape-based alignment tool☆47Updated 4 months ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆43Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Updated 3 years ago
- ☆40Updated 3 years ago
- Dynamic pharmacophore modeling of molecular interactions☆38Updated last year
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆31Updated 4 years ago
- Synthetic Bayesian Classification☆49Updated 5 years ago
- Mordred port in cpp☆54Updated 11 months ago
- faster docking☆19Updated 4 years ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆29Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated this week
- ☆76Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated 2 years ago
- A Python toolbox to work with molecular similarity☆44Updated 4 months ago