stonewiseAIDrugDesign / Lingo3DMolLinks
☆58Updated last year
Alternatives and similar repositories for Lingo3DMol
Users that are interested in Lingo3DMol are comparing it to the libraries listed below
Sorting:
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆69Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- 3D_Molecular_Generation☆100Updated 10 months ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆82Updated last month
- ☆108Updated 2 years ago
- ☆47Updated 2 years ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆16Updated last year
- ☆32Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 6 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆100Updated last month
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆64Updated last year
- my own studied materials and scripts☆54Updated 5 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆40Updated 6 months ago
- ☆55Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆27Updated 3 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆41Updated 3 months ago
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆14Updated last month
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆20Updated last year
- ☆48Updated 6 months ago
- ☆38Updated last year
- ☆54Updated 2 months ago
- ☆27Updated last year