QizhiPei / SSM-DTA
SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
☆52Updated 8 months ago
Alternatives and similar repositories for SSM-DTA:
Users that are interested in SSM-DTA are comparing it to the libraries listed below
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆50Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆77Updated 9 months ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆100Updated 5 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆39Updated last year
- ☆34Updated 11 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- ☆32Updated 8 months ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆29Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆65Updated 9 months ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆36Updated last year
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆93Updated 8 months ago
- ☆62Updated 2 years ago
- ☆48Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆93Updated 2 months ago
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆86Updated last year
- ☆46Updated 5 months ago
- ☆11Updated 3 years ago
- a novel DTA predition method using graph neural network☆74Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆36Updated 5 months ago
- ☆44Updated 4 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆31Updated 2 years ago
- The official implementation of dual-view molecule pre-training.☆39Updated 3 years ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- ☆22Updated 10 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆91Updated last year
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆33Updated 5 months ago
- generative model for drug discovery☆59Updated last year
- ☆18Updated 11 months ago