ravishar313 / boltz-guiLinks
GUI for Boltz
☆31Updated 7 months ago
Alternatives and similar repositories for boltz-gui
Users that are interested in boltz-gui are comparing it to the libraries listed below
Sorting:
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆73Updated 10 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Code for peptide ligand design with machine learning models.☆30Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆46Updated 2 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆142Updated last week
- Ligand-Protein Interaction Mapping☆72Updated 9 months ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆76Updated last month
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated this week
- 📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact☆80Updated last week
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆26Updated 2 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated last month
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 8 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆87Updated 3 months ago
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆101Updated this week
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆108Updated last year
- Efficient manipulation of protein structures in Python☆61Updated 4 months ago
- A model-context-protocol server for molecules.☆88Updated 9 months ago
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 10 months ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆24Updated 2 years ago
- ☆54Updated 8 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆115Updated last month
- Plugin for folding sequences directly in PyMOL☆27Updated 5 months ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆68Updated 2 months ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆49Updated 3 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆58Updated last week
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆85Updated 2 months ago
- mdml: Deep Learning for Molecular Simulations☆50Updated 8 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 5 months ago
- A benchmark for 3D biomolecular structure prediction models☆67Updated 8 months ago