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:
- ☆49Updated 3 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆55Updated 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
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆44Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆80Updated 3 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- ☆63Updated 5 months ago
- ☆64Updated 4 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆98Updated 2 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆43Updated 2 years ago
- InterpretableDTIP☆20Updated 7 years ago
- Official repository for MolCRAFT series☆131Updated 3 weeks ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆32Updated last year
- generative model for drug discovery☆64Updated 3 weeks ago
- ☆51Updated 5 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆38Updated 4 months ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆53Updated 2 years ago
- ☆71Updated last year
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆43Updated 2 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆76Updated last year
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆98Updated 2 years ago
- ☆26Updated last year
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆53Updated last year
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆33Updated 3 weeks 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 10 months ago
- Transformer-based model for chemical reactions☆88Updated 6 months ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago