YerevaNN / BARTSmilesLinks
BARTSmiles, generative masked language model for molecular representations
☆34Updated last year
Alternatives and similar repositories for BARTSmiles
Users that are interested in BARTSmiles are comparing it to the libraries listed below
Sorting:
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆31Updated last year
- Atom-in-SMILES tokenizer for SMILES strings.☆42Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 8 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆52Updated last year
- Molecular Out-Of-Distribution☆39Updated 7 months ago
- A benchmark for 3D biomolecular structure prediction models☆67Updated 7 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆51Updated 4 months ago
- ☆24Updated this week
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆52Updated 7 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆53Updated 5 months ago
- Useful functions for working with small molecules☆55Updated 2 months ago
- ☆39Updated 6 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆104Updated last year
- MiniMol is a 10M-parameters molecular fingerprinting model pre-trained on >3300 biological and quantum tasks☆32Updated 6 months ago
- Code Space of SynLlama☆38Updated 3 weeks ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 2 months ago
- ☆38Updated last year
- ☆30Updated last year
- ☆33Updated last year
- dMaSIF implementation for google colab☆35Updated 2 years ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆89Updated 6 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- Recursion's molecular foundation model☆64Updated 6 months ago
- ☆27Updated 8 months ago
- ☆71Updated 2 years ago
- ☆27Updated last year
- ☆78Updated last year