A program analyzing 3D protein structures from PDB to generate 2D binding motifs
☆17Jul 18, 2021Updated 4 years ago
Alternatives and similar repositories for StructureAnalyzer
Users that are interested in StructureAnalyzer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Simple small molecular docking and conformation filtering tool.☆13Updated this week
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆34Aug 9, 2021Updated 4 years ago
- Python script that creates 2D protein-ligand interaction images☆14Apr 23, 2018Updated 7 years ago
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆15Apr 3, 2026Updated last week
- A drop-in replacement for Rosetta Relax☆27Jan 30, 2026Updated 2 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- Efficient manipulation of protein structures in Python☆67Sep 27, 2025Updated 6 months ago
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆17Jun 19, 2021Updated 4 years ago
- Energy-guided binder design pipeline built on BindCraft☆17Jun 6, 2025Updated 10 months ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- ☆21Updated this week
- Official open-source of Accurate structure prediction of immune proteins using parameter-efficient transfer learning☆23Mar 19, 2025Updated last year
- A Rust reimplementation of PyMOL molecular visualization☆96Apr 2, 2026Updated last week
- ☆15Dec 4, 2023Updated 2 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Python interface for the RCSB PDB search API.☆65Mar 26, 2025Updated last year
- Generate customized voxel representations of protein-ligand complexes using GPU.☆11Sep 8, 2025Updated 7 months ago
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Sep 27, 2020Updated 5 years ago
- dMaSIF implementation for google colab☆36Mar 24, 2023Updated 3 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- JAX translation of boltz☆26Aug 4, 2025Updated 8 months ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆35Jan 2, 2021Updated 5 years ago
- Prediction of Protein-Small molecule binding affinities☆21Oct 1, 2025Updated 6 months ago
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆39Mar 5, 2026Updated last month
- ☆14Jan 11, 2022Updated 4 years ago
- Efficient implementatin of ESM family.☆84Sep 9, 2025Updated 7 months ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆18Nov 29, 2022Updated 3 years ago
- Real time monitoring and visualization of Amber MD simulations☆16Feb 6, 2020Updated 6 years ago
- This is the GitHub repository accompanying Krishnan, Anahtar, Valeri, et al., 2025☆37Jun 8, 2025Updated 10 months ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆22Oct 31, 2025Updated 5 months ago
- ☆58Feb 13, 2026Updated last month
- python client for reactome content, analysis, and human functional protein interactions (FI) services api calls.☆35Mar 9, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.☆15Jan 3, 2026Updated 3 months ago
- ☆19Feb 3, 2026Updated 2 months ago
- A package to create, visualize, and analysis PDB-derived pseudo-ensembles.☆10Jan 7, 2026Updated 3 months ago
- ☆13Mar 26, 2024Updated 2 years ago
- Weighted Ensemble Data Analysis and Plotting☆27Dec 11, 2025Updated 3 months ago
- AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.☆21Apr 5, 2024Updated 2 years ago
- A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM☆60Mar 26, 2026Updated 2 weeks ago