huifengzhao / RAPiDockLinks
☆23Updated 7 months ago
Alternatives and similar repositories for RAPiDock
Users that are interested in RAPiDock are comparing it to the libraries listed below
Sorting:
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- my own studied materials and scripts☆52Updated 3 months ago
- ☆36Updated 4 months ago
- ☆32Updated 2 years ago
- List of papers about Peptide research using Deep Learning☆27Updated 3 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆76Updated 3 weeks ago
- ☆25Updated 10 months ago
- ☆43Updated 4 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆32Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated last year
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆27Updated 4 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆35Updated last month
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 10 months ago
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆67Updated 4 months ago
- ☆50Updated 3 months ago
- ☆29Updated 3 weeks ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆26Updated 4 months ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆69Updated 8 months ago
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆70Updated 7 months ago
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆13Updated last month
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- ☆57Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- MBP: Multi-task Bioassay Pre-training for Protein-Ligand Binding Affinity Prediction☆19Updated 9 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated last year
- A universal structure-directed lead optimization☆44Updated 4 months ago
- ☆49Updated 4 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆63Updated 2 months ago
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆13Updated last year
- 3D_Molecular_Generation☆97Updated 8 months ago