swansonk14 / SyntheMolLinks
Combinatorial antibiotic generation
☆190Updated 3 weeks ago
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
- Plugin for folding sequences directly in PyMOL☆106Updated 3 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆175Updated 2 weeks ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆218Updated 3 months ago
- A partially latent flow matching model for the joint generation of a protein’s amino acid sequence and full atomistic structure, includin…☆237Updated last month
- FAPLM: A Drop-in Efficient Pytorch Implementation of Protein Language Models☆156Updated 3 months ago
- A generalized computational framework for biomolecular modeling.☆321Updated 3 weeks ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- Improved antibody structure-based design using inverse folding☆144Updated 2 months ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆88Updated 5 months ago
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆115Updated 5 months ago
- Protein-ligand structure prediction☆234Updated 3 months ago
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆144Updated 7 months ago
- Generative modeling of molecular dynamics trajectories☆179Updated 7 months ago
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆87Updated 2 weeks ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆115Updated 2 months ago
- bioinformatics tools running on modal☆107Updated 2 weeks ago
- Dataset and package for working with protein-protein interactions in 3D☆96Updated 6 months ago
- Sandbox for Deep-Learning based Computational Protein Design☆117Updated last month
- Supporting code for the paper "Discovery of a structural class of antibiotics with explainable deep learning"☆106Updated 2 years ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆223Updated last year
- Central repository for biomolecular foundation models with shared trainers and pipeline components☆188Updated 2 months ago
- Foster the development of impactful AI models in drug discovery.☆138Updated 2 months ago
- ProtMamba: a homology-aware but alignment-free protein state space model☆80Updated 5 months ago
- Protein structure diffusion model for unconditional protein generation and motif scaffolding☆177Updated last year
- Protein language model customized for antibodies☆146Updated 7 months ago
- ML-guided enzyme engineering☆69Updated last month
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆134Updated last week
- Official repository of EnzymeFlow☆95Updated 11 months ago