LirongWu / Prompt-DDG
Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical Prompt Learning"
☆32Updated last month
Related projects ⓘ
Alternatives and complementary repositories for Prompt-DDG
- A Text-guided Protein Design Framework, Nat Mach Intell 2024☆43Updated 4 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆87Updated last year
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆25Updated 8 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆25Updated 2 months ago
- Code and Data for the paper: Multi-level Protein Structure Pre-training with Prompt Learning [ICLR 2023]☆32Updated last year
- Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)☆57Updated 4 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆69Updated 6 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆42Updated last year
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆49Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆44Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆93Updated 7 months ago
- ☆14Updated last week
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆19Updated 3 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆53Updated 5 months ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆48Updated last month
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆22Updated last year
- Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"☆75Updated 2 months ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆21Updated last year
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆30Updated 11 months ago
- Learning Harmonic Molecular Representations on Riemannian Manifold, ICLR, 2023☆22Updated last year
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆82Updated last year
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆12Updated 5 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆40Updated last year
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆39Updated last year
- ☆21Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated 2 months ago
- Protein-protein interacting site predictor using deep graph convolutional network☆11Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆28Updated 10 months ago
- Official repository of ReactZyme☆19Updated last month