Laboratoire-de-Chemoinformatique / SynPlannerLinks
Computer-aided synthesis planning
☆33Updated last week
Alternatives and similar repositories for SynPlanner
Users that are interested in SynPlanner are comparing it to the libraries listed below
Sorting:
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆18Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 5 months ago
- Synthetic Bayesian Classification☆45Updated 4 years ago
- ☆35Updated last year
- Code for training machine learning model for reaction condition prediction☆45Updated 5 years ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆52Updated 10 months ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆36Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆27Updated 10 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆26Updated this week
- Repository for the code associated with the paper Impact of applicability domains by Maxime Langevin et al.☆12Updated 6 months ago
- Twitter retrosynthesis bot☆13Updated 3 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- ☆28Updated 2 years ago
- ☆28Updated 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
- ☆28Updated 3 months ago
- ☆25Updated last year
- Code to analyze SAR datasets for Nonadditivity☆18Updated 4 years ago
- ☆23Updated 4 years ago
- Dynamic pharmacophore modeling of molecular interactions☆35Updated last year
- Mordred port in cpp☆50Updated 6 months ago
- Chemical reaction data cleaning☆30Updated 3 years ago
- ☆46Updated 4 years ago
- faster docking☆19Updated 4 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆30Updated 3 months ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆41Updated 3 months ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- ☆19Updated 9 months ago