dual-view-molecule-pretraining / dmpLinks
☆11Updated 4 years ago
Alternatives and similar repositories for dmp
Users that are interested in dmp are comparing it to the libraries listed below
Sorting:
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆42Updated last year
- ☆48Updated 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
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆53Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆32Updated last year
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆53Updated last year
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆96Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆42Updated 2 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆80Updated 3 years ago
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Updated last year
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆19Updated last month
- ☆64Updated 4 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆50Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- InterpretableDTIP☆20Updated 7 years ago
- ☆14Updated 2 years ago
- ☆51Updated 4 years ago
- generative model for drug discovery☆64Updated 2 months ago
- ☆64Updated 3 months ago
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆95Updated 2 years ago
- ☆58Updated 2 years ago
- ☆25Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆37Updated 5 months ago
- ☆70Updated last year
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆42Updated last year
- Papers about Structure-based Drug Design (SBDD)☆124Updated 2 weeks ago