swansonk14 / SyntheMolLinks
Combinatorial antibiotic generation
☆191Updated last month
Alternatives and similar repositories for SyntheMol
Users that are interested in SyntheMol are comparing it to the libraries listed below
Sorting:
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆191Updated 2 months ago
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆105Updated last year
- A partially latent flow matching model for the joint generation of a protein’s amino acid sequence and full atomistic structure, includin…☆242Updated 2 months ago
- Plugin for folding sequences directly in PyMOL☆108Updated 4 months ago
- A generalized computational framework for biomolecular modeling.☆363Updated this week
- FAPLM: A Drop-in Efficient Pytorch Implementation of Protein Language Models☆156Updated 4 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆178Updated 3 weeks ago
- Supporting code for the paper "Discovery of a structural class of antibiotics with explainable deep learning"☆107Updated 2 years ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆225Updated last year
- Molecular dynamics simulations with an LLM agent☆216Updated 8 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆117Updated 3 months ago
- bioinformatics tools running on modal☆112Updated last month
- Sandbox for Deep-Learning based Computational Protein Design☆119Updated 2 weeks ago
- Dataset and package for working with protein-protein interactions in 3D☆98Updated 7 months ago
- Generative modeling of molecular dynamics trajectories☆180Updated 2 weeks ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆223Updated 4 months ago
- Improved antibody structure-based design using inverse folding☆144Updated 3 months ago
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆145Updated 7 months ago
- Foster the development of impactful AI models in drug discovery.☆138Updated 3 months ago
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆139Updated 2 weeks ago
- Protein structure diffusion model for unconditional protein generation and motif scaffolding☆180Updated last year
- Official repository for the Deep Docking protocol☆123Updated 2 years ago
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆88Updated last month
- Protein-ligand structure prediction☆235Updated 4 months ago
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆115Updated 6 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆134Updated 4 months ago
- composite-objective protein design☆121Updated this week
- GenMol is a generative AI model for creating novel molecules. It utilizes masked discrete diffusion and fragment-based generation to crea…☆133Updated 2 weeks ago
- ☆225Updated last year