HUBioDataLab / SELFormerLinks
SELFormer: Molecular Representation Learning via SELFIES Language Models
☆104Updated last year
Alternatives and similar repositories for SELFormer
Users that are interested in SELFormer are comparing it to the libraries listed below
Sorting:
- Recursion's molecular foundation model☆65Updated 7 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆72Updated 10 months ago
- Awesome De novo drugs design papers☆90Updated 2 years ago
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆70Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆204Updated 11 months ago
- CheMeleon Descriptor-based Foundation Model☆97Updated last week
- A single model for all your molecular design tasks☆163Updated 4 months ago
- Pose checks for 3D Structure-based Drug Design methods☆92Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- ☆94Updated 3 years ago
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆90Updated 2 months ago
- ☆52Updated 5 years ago
- A benchmark for 3D biomolecular structure prediction models☆67Updated 8 months ago
- Graph neural networks for molecular machine learning: Implemented and compatible with TensorFlow and Keras.☆61Updated 4 months ago
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆54Updated 3 years ago
- Atom-in-SMILES tokenizer for SMILES strings.☆42Updated last year
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆80Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆72Updated 9 months ago
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆108Updated 2 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 6 months ago
- Reaction SMILES-AA mapping via language modelling☆29Updated last year
- Chemical representation learning paper in Digital Discovery☆63Updated last year
- ☆80Updated last year
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- Foster the development of impactful AI models in drug discovery.☆138Updated 4 months ago
- ☆98Updated 6 months ago
- RXN for biochemical reactions☆73Updated 3 years ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆52Updated 4 months ago
- Trained caffe models☆97Updated 2 years ago