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:
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆55Updated last year
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆45Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆82Updated 3 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- ☆50Updated 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
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆34Updated last year
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆53Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆43Updated 2 years ago
- ☆26Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Updated last year
- ☆66Updated 6 months ago
- ☆51Updated 5 years ago
- Transformer-based model for chemical reactions☆90Updated 7 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆98Updated 2 years ago
- ☆64Updated 4 years ago
- ☆60Updated 3 years ago
- ☆64Updated 2 years ago
- InterpretableDTIP☆20Updated 7 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆53Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆130Updated last year
- ☆14Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Associated Repository for "Translation between Molecules and Natural Language"☆191Updated 2 years ago
- ☆74Updated last year
- generative model for drug discovery☆64Updated last month
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆28Updated 4 months ago