pgmikhael / clipzymeLinks
Reaction-Conditioned Virtual Screening of Enzymes
☆36Updated 2 months ago
Alternatives and similar repositories for clipzyme
Users that are interested in clipzyme are comparing it to the libraries listed below
Sorting:
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆43Updated 8 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆46Updated 7 months ago
- ☆92Updated 10 months ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated last year
- ☆65Updated last year
- Implementation of MapDiff: "Mask-prior-guided denoising diffusion improves inverse protein folding" in PyTorch☆36Updated last month
- Diffusion model based protein-ligand flexible docking method☆110Updated 10 months ago
- ☆21Updated 9 months ago
- ☆31Updated 5 months ago
- Official repository of ReactZyme☆36Updated 10 months ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆40Updated 5 months ago
- ☆77Updated last year
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆83Updated 2 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆117Updated 2 months ago
- ☆76Updated 6 months ago
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆37Updated last year
- ☆36Updated 2 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆80Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆27Updated 10 months ago
- PoseX: A Molecular Docking Benchmark☆47Updated last month
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆71Updated last week
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆38Updated 2 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆70Updated 3 weeks ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆70Updated 2 weeks ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago