jinhojsk515 / SPMMLinks
[Nat. Comm. 2024] Multimodal learning for chemical domain, with SMILES and properties.
☆39Updated 9 months ago
Alternatives and similar repositories for SPMM
Users that are interested in SPMM are comparing it to the libraries listed below
Sorting:
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆73Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated 11 months ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆78Updated last year
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆52Updated 2 weeks ago
- a multi-property optimization method.☆32Updated 10 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆67Updated 10 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆51Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆33Updated 3 years ago
- ☆57Updated 3 months ago
- ☆64Updated 4 months ago
- ☆64Updated 9 months ago
- PIGNet source code☆54Updated 3 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆64Updated last year
- Official repository for MolCRAFT series☆124Updated this week
- ☆36Updated 6 months ago
- Fragment-based Molecular Expansion☆24Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆114Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆51Updated last year
- ☆38Updated last year
- 3D_Molecular_Generation☆100Updated 11 months ago
- my own studied materials and scripts☆54Updated 2 weeks ago
- ☆78Updated last year
- ☆27Updated last year
- ☆58Updated 2 years ago
- Trained caffe models☆95Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…☆22Updated 2 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆81Updated last month
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago