lich-uct / sybaLinks
Synthetic Bayesian Classification
☆49Updated 5 years ago
Alternatives and similar repositories for syba
Users that are interested in syba are comparing it to the libraries listed below
Sorting:
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆29Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆38Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 4 years ago
- ☆23Updated 5 years ago
- ☆49Updated 5 years ago
- Dynamic pharmacophore modeling of molecular interactions☆38Updated last year
- Code for training machine learning model for reaction condition prediction☆47Updated 5 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆46Updated 2 years ago
- ☆31Updated 2 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated last year
- Open-source tool for synthons-based library design.☆85Updated last year
- Code to analyze SAR datasets for Nonadditivity☆19Updated 4 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆66Updated 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
- Tools to train synthesis prediction models☆29Updated 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
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆92Updated 4 years ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Updated 3 years ago
- Mordred port in cpp☆54Updated 11 months ago
- Updated version of Silicos-it's shape-based alignment tool☆47Updated 4 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated last year
- ☆77Updated 2 years ago
- ☆35Updated last year
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- Chemical reaction data cleaning☆31Updated 3 years ago
- ☆66Updated 4 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆79Updated 8 months ago
- ☆24Updated 4 years ago
- Machine learning predictions of bond dissociation energy☆67Updated last year
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆53Updated 4 years ago