A-Gentle-Cat / PremuNetLinks
Official code implementation of PremuNet model.
☆16Updated 6 months ago
Alternatives and similar repositories for PremuNet
Users that are interested in PremuNet are comparing it to the libraries listed below
Sorting:
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆50Updated last year
- ☆29Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆22Updated 2 years ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 10 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆120Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆77Updated last year
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆19Updated last year
- MDM☆56Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆51Updated 2 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆128Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆99Updated 6 months ago
- Triplet Graph Transformer☆49Updated 3 months ago
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆26Updated 2 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆50Updated 2 years ago
- This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu…☆57Updated 11 months ago
- ☆40Updated last year
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆53Updated last year
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆13Updated last year
- Papers about Structure-based Drug Design (SBDD)☆136Updated 3 months ago
- ☆47Updated 2 years ago
- ☆49Updated 2 years ago
- 小白入门DTA方向,GraphDTA作为经典的DTA模型,对于python基础不好,深度学习代码实操不强者,本github将代码细致的进行注释阐述,旨在记录学习过程,帮助更多入门者尽快入门!☆27Updated 2 years ago
- ☆64Updated 4 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- structure-based explanation methods☆28Updated last year
- K-BERT for molecular property prediction.☆31Updated 3 years ago