zguo235 / bayesian_retroLinks
A bayesian retrosynthesis algorithm
☆13Updated 4 years ago
Alternatives and similar repositories for bayesian_retro
Users that are interested in bayesian_retro are comparing it to the libraries listed below
Sorting:
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- RDKit code for the JCIM article☆17Updated 12 years ago
- ☆11Updated 4 years ago
- ☆27Updated 2 years ago
- ChEMBL Similarity Search☆17Updated 5 years ago
- cime public repository☆33Updated 2 years ago
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- ☆23Updated 5 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆38Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆46Updated last year