OdinZhang / SDEGenLinks
☆24Updated 2 years ago
Alternatives and similar repositories for SDEGen
Users that are interested in SDEGen are comparing it to the libraries listed below
Sorting:
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- ☆17Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆79Updated last month
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆17Updated 2 years ago
- ☆31Updated 2 months ago
- ☆27Updated last year
- ☆55Updated last year
- ☆27Updated 2 years ago
- my own studied materials and scripts☆54Updated last week
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆24Updated 2 months ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆35Updated 4 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated last week
- ☆25Updated last year
- ☆38Updated 2 years ago
- ☆58Updated last year
- ☆40Updated 2 years ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆52Updated last week
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 7 months ago
- ☆15Updated 4 years ago
- ☆25Updated 5 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Updated 2 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆67Updated 10 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- ☆60Updated 3 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆34Updated 7 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆19Updated 9 months ago