zhouxiangxin1998 / DualDiffLinks
☆13Updated 7 months ago
Alternatives and similar repositories for DualDiff
Users that are interested in DualDiff are comparing it to the libraries listed below
Sorting:
- BC-Design: A Biochemistry-Aware Framework for High-Precision Inverse Protein Folding☆15Updated last month
- A universal structure-directed lead optimization☆44Updated 3 months ago
- ☆43Updated last month
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆28Updated 4 months ago
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆43Updated 2 weeks ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆46Updated 10 months ago
- Implementation for SuperWater☆32Updated last month
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- ☆13Updated 8 months ago
- ☆10Updated 2 months ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆61Updated last year
- The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)☆12Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆53Updated last month
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- ☆21Updated last year
- Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"☆15Updated 2 months ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆68Updated 7 months ago
- Source code of ProDMM. The paper is titled with "Unveiling Protein-DNA Interdependency: Harnessing Unified Multimodal Sequence Modeling, …☆9Updated 8 months ago
- ☆29Updated 4 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆85Updated 3 months ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆82Updated last month
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆38Updated 3 months ago
- 3D_Molecular_Generation☆96Updated 7 months ago
- ☆44Updated last week
- ☆57Updated last year
- ☆25Updated 9 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆64Updated 11 months ago
- Token-Mol 1.0:tokenized drug design with large language model☆40Updated 2 months ago
- 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