programs and scripts for molecular structure analysis
☆11Mar 26, 2026Updated last month
Alternatives and similar repositories for structurework
Users that are interested in structurework are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Inpainting protein sequence and structure☆12Nov 10, 2023Updated 2 years ago
- RaptorX-Property: a Standalone Package for Protein Structure Property Prediction☆19May 6, 2019Updated 6 years ago
- Predict protein local properties using sequence or profile information.☆23Nov 16, 2020Updated 5 years ago
- Kinase Activity Predictions from shotgun proteomics☆13Apr 18, 2017Updated 9 years ago
- ☆14May 15, 2024Updated last year
- 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.
- The public repository for the Proteomic Data Commons UI and APIs☆17Feb 19, 2026Updated 2 months ago
- ☆23May 15, 2019Updated 6 years ago
- 💊 Cutting-edge automation of computational drug discovery pipelines☆33Jul 24, 2025Updated 9 months ago
- Fast and accurate prediction of coiled coil domains in protein sequences. ☆27Dec 17, 2023Updated 2 years ago
- PyMOL Plugin for displaying polar contacts☆20Mar 11, 2019Updated 7 years ago
- Real-time structure motif searching in protein 3D structures using an inverted index strategy☆14Jul 19, 2025Updated 9 months ago
- studyforrest.org: Phase2 data (movie, eyetracking, retmapping, visual localizers) [BIDS]☆11Apr 13, 2023Updated 3 years ago
- Python code for generating Boresch restraints from MD simulations☆22Oct 11, 2025Updated 6 months ago
- ☆10Oct 31, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆28Feb 27, 2026Updated 2 months ago
- R package for functionally scoring phosphorylation sites☆23Nov 3, 2019Updated 6 years ago
- Supporting code for the paper "Measuring evolutionary rates of proteins in a structural context"☆15Sep 10, 2018Updated 7 years ago
- Repository for working on the Reproducibility project☆12Jul 27, 2016Updated 9 years ago
- AI4SocialGood Final Project☆14Sep 8, 2018Updated 7 years ago
- Guiding Program Synthesis by Learning to Generate Examples☆13Jul 23, 2023Updated 2 years ago
- A library for hierarchy graph layout based on sugiyama framework☆12Apr 1, 2026Updated 3 weeks ago
- Code for the paper "Hone as You Read: A Practical Type of Interactive Summarization"☆12May 6, 2021Updated 4 years ago
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆15Apr 3, 2026Updated 3 weeks ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 4 years ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆28Jul 2, 2024Updated last year
- Solvent Accessible Surface calculation software for biomolecules.☆19Apr 23, 2023Updated 3 years ago
- Code for running RFdiffusion☆15Oct 23, 2025Updated 6 months ago
- This Python tool helps visualizing statistical significance on existing Matplotlib plots by adding significance bars and p-value labels b…☆20Feb 21, 2025Updated last year
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 2024Updated last year
- Scripts to generate and analyze afdb clusters☆11Sep 15, 2023Updated 2 years ago
- Sliding window dN/dS vs. functional protein domain comparison tool. Given VectorBase gene id inputs it will aggregate various useful Bioi…☆20Dec 10, 2024Updated last year
- Quantum Chemistry and Computing for the Curious, published by Packt☆57Apr 22, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Lesson for the shell for genomics☆10Jan 12, 2021Updated 5 years ago
- Python package for investigating the structural context of PTMs☆29Jan 9, 2025Updated last year
- My blog.☆16Aug 8, 2025Updated 8 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated 11 months ago
- python stuff I use☆20Feb 16, 2026Updated 2 months ago
- Varv: Reprogrammable Interactive Software as a Declarative Data Structure☆13Oct 23, 2024Updated last year
- Source code and data for "Pan-cancer analysis of bi-allelic alterations in homologous recombination (HR) DNA repair genes" ; See manuscri…☆13May 26, 2017Updated 8 years ago