zhaolongNCU / PocketDTALinks
PocketDTA
☆30Updated 9 months ago
Alternatives and similar repositories for PocketDTA
Users that are interested in PocketDTA are comparing it to the libraries listed below
Sorting:
- Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks☆31Updated last year
- ☆76Updated last year
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆44Updated 8 months ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated last year
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆63Updated 3 weeks ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆38Updated 5 months ago
- ☆86Updated last week
- ☆70Updated 4 months ago
- Transformer Based Language Model for Peptide Property Prediction☆46Updated last year
- ☆35Updated 3 weeks ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆66Updated this week
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆82Updated 2 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆139Updated last month
- This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)☆40Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆66Updated 4 months ago
- ☆48Updated 7 months ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆39Updated 4 months ago
- ☆32Updated 4 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- ☆19Updated 9 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆51Updated 2 months ago
- ☆72Updated 6 months ago
- Active Learning-Assisted Directed Evolution for Protein Engineering☆63Updated 8 months ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆29Updated 8 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- Structure prediction of alternative protein conformations☆76Updated 5 months ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32Updated last year
- Pro-FSFP: Few-Shot Protein Fitness Prediction☆91Updated 2 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated last year