hogru / MolReactGenLinks
Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implementation of OpenAI's GPT-2 transformer decoder model
☆17Updated last year
Alternatives and similar repositories for MolReactGen
Users that are interested in MolReactGen are comparing it to the libraries listed below
Sorting:
- ☆33Updated last month
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆23Updated 7 months ago
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆12Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆31Updated this week
- ☆14Updated 2 years ago
- Augmented Memory and Beam Enumeration implementation☆24Updated 11 months ago
- Molecular SMILE generation with recurrent neural networks