zhaisilong / awesome-peptideLinks
List of papers about Peptide research using Deep Learning
☆27Updated 4 months ago
Alternatives and similar repositories for awesome-peptide
Users that are interested in awesome-peptide are comparing it to the libraries listed below
Sorting:
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- ☆46Updated 6 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆27Updated 5 months ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆15Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆54Updated 4 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆32Updated 2 years ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆32Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆40Updated 3 months ago
- ☆51Updated 4 months ago
- POLYGON VAE For de novo Polypharmacology☆38Updated 6 months ago
- A universal structure-directed lead optimization☆51Updated 5 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆56Updated 2 months ago
- ☆39Updated 5 months ago
- ☆27Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆26Updated 2 months ago
- ☆32Updated 3 years ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 2 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆77Updated 2 weeks ago
- ☆69Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆25Updated 4 months ago
- A benchmark dataset for protein-ligand co-folding prediction☆33Updated last month
- my own studied materials and scripts☆54Updated 5 months ago
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆69Updated 5 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 6 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆58Updated last year