charlesxu90 / helm-gptLinks
HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer
☆27Updated last year
Alternatives and similar repositories for helm-gpt
Users that are interested in helm-gpt are comparing it to the libraries listed below
Sorting:
- ☆23Updated 6 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated last week
- ☆39Updated last year
- Making Protein folding accessible to all!☆24Updated last year
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆40Updated 4 years ago
- Fragment-based Molecular Expansion☆25Updated last year
- ☆39Updated 6 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 6 months ago
- ☆33Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 5 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 2 years ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 8 months ago
- ☆54Updated 8 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆41Updated last year
- Antibody paratope prediction using Graph Neural Networks with minimal feature vectors☆37Updated 2 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆45Updated 2 weeks ago
- The Patent and Literature Antibody Database (PLAbDab): an evolving reference set of functionally diverse, literature-annotated antibody s…☆29Updated last year
- ☆80Updated last year
- ☆61Updated last year
- ☆73Updated 5 years ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆70Updated last week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated 11 months ago
- Efficient manipulation of protein structures in Python☆60Updated 2 months ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆32Updated 2 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 2 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- ☆26Updated 9 months ago