YerevaNN / ChemLacticaLinks
Fine-tuning Galactica and Gemma to operate on SMILES. Integrates into a molecular optimization algorithm.
☆35Updated 10 months ago
Alternatives and similar repositories for ChemLactica
Users that are interested in ChemLactica are comparing it to the libraries listed below
Sorting:
- ☆35Updated 6 months ago
- A Fast, Simplified Model for Molecular Generation with Improved Physical Quality☆24Updated 3 months ago
- BARTSmiles, generative masked language model for molecular representations☆35Updated 2 years ago
- Molecular Out-Of-Distribution☆39Updated 8 months ago
- ☆25Updated last month
- Language models for drug discovery using torchrl☆113Updated 3 months ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- ☆27Updated last year
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Updated 8 months ago
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆42Updated last year
- Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …☆52Updated 2 years ago
- Source code of MOLLEO☆53Updated 6 months ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆51Updated 5 months ago
- ☆23Updated 4 years ago
- ☆14Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆31Updated last year
- Useful functions for working with small molecules☆56Updated 3 months ago
- ☆37Updated last year
- Sample-efficient Generative Molecular Design using Memory Manipulation☆69Updated 7 months ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆29Updated last year
- Code Space of SynLlama☆41Updated 3 weeks ago
- Serializing molecule 3D structures☆14Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆72Updated 9 months ago
- ☆31Updated 3 years ago
- Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9☆21Updated last year
- ☆14Updated last year
- ☆42Updated last month
- ☆18Updated last year
- ☆20Updated last year