novonordisk-research / pepfunnLinks
Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
☆46Updated 2 months ago
Alternatives and similar repositories for pepfunn
Users that are interested in pepfunn are comparing it to the libraries listed below
Sorting:
- ☆60Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated last month
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 10 months ago
- Fully automated high-throughput MD pipeline☆88Updated last week
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last month
- Scores for Hydrophobicity and Charges based on SASAs☆41Updated 7 months ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated 2 years ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆68Updated 2 months ago
- ☆55Updated last week
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated this week
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆87Updated 3 months ago
- ☆54Updated 8 months ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆78Updated last month
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆55Updated 3 months ago
- ☆70Updated last year
- Ligand-Protein Interaction Mapping☆75Updated 9 months ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆35Updated last year
- ☆101Updated 11 months ago
- ☆46Updated 2 months ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆85Updated 3 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆31Updated this week
- ☆38Updated last year
- Molecular Dynamics for Experimentalists☆65Updated 2 months ago
- ☆37Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆65Updated last year
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆70Updated 10 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 5 months ago