Vencent-Won / SGGRLLinks
The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
☆43Updated 8 months ago
Alternatives and similar repositories for SGGRL
Users that are interested in SGGRL are comparing it to the libraries listed below
Sorting:
- ☆26Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated 11 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆65Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆124Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆120Updated 8 months ago
- MDM☆55Updated last year
- Molecular Hypergraph Neural Network☆38Updated last month
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆50Updated 2 years ago
- structure-based explanation methods☆27Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆115Updated 11 months ago
- Triplet Graph Transformer☆47Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆82Updated 2 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆96Updated 2 years ago
- ☆19Updated 8 months ago
- ☆139Updated 3 weeks ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 6 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆17Updated last year
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆188Updated 6 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- ☆38Updated last year
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆41Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆50Updated last year
- ☆35Updated 4 months ago
- MGA☆44Updated 4 years ago