TieuLongPhan / SynTempLinks
Graph based Reaction Template Extraction
☆25Updated last month
Alternatives and similar repositories for SynTemp
Users that are interested in SynTemp are comparing it to the libraries listed below
Sorting:
- Toolkit for synthesis planning☆16Updated this week
- ☆13Updated 2 years ago
- A bayesian retrosynthesis algorithm☆13Updated 4 years ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆19Updated 2 months ago
- ☆24Updated 4 years ago
- Chemical reaction data cleaning☆30Updated 3 years ago
- Code for training machine learning model for reaction condition prediction☆42Updated 5 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆18Updated 4 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- ☆26Updated 2 years ago
- ☆26Updated last year
- ☆24Updated 11 months ago
- ☆26Updated 5 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 3 months ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆36Updated last year
- ☆27Updated last year
- ☆11Updated 3 years ago
- ☆26Updated 2 years ago
- ☆20Updated 2 years ago
- Synthetic Bayesian Classification☆44Updated 4 years ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- ☆25Updated 3 years ago
- ☆45Updated 4 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 11 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆33Updated 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
- Open-source tool for synthons-based library design.☆81Updated 6 months ago
- ☆28Updated this week