jinhojsk515 / SPMM
[Nat. Comm. 2024] Multimodal learning for chemical domain, with SMILES and properties.
☆40Updated 3 months ago
Alternatives and similar repositories for SPMM:
Users that are interested in SPMM are comparing it to the libraries listed below
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆53Updated 9 months ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆46Updated last year
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆41Updated last month
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆63Updated 5 months ago
- a multi-property optimization method.☆33Updated 5 months ago
- Obtain and organize all feasible fragmentation of molecular methods☆31Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆62Updated 5 months ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆59Updated 10 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆46Updated last year
- Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning☆18Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆83Updated last year
- Fragment-based Molecular Expansion☆20Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆67Updated last year
- ☆40Updated last year
- ☆34Updated last month
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆41Updated 8 months ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)☆12Updated last year
- ☆27Updated last year
- ☆64Updated 2 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated last year
- MDM☆51Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- ☆24Updated 7 months ago
- ☆42Updated 4 months ago
- ☆54Updated 2 years ago
- my own studied materials and scripts☆49Updated 3 weeks ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆69Updated 3 weeks ago