a library for massive analyses of internal voids in biomolecules and ligand transport through them
☆10Jun 3, 2026Updated this week
Alternatives and similar repositories for transport_tools
Users that are interested in transport_tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A collection of IPython Notebooks on chemoinformatics☆13Mar 29, 2016Updated 10 years ago
- ☆13Sep 8, 2021Updated 4 years ago
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- A mobile QML app for interfacing with the Galaxy API☆14Dec 7, 2015Updated 10 years ago
- PandaDock: Physics based Molecular Docking with GNN Scoring☆97Feb 25, 2026Updated 3 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Set of Python scripts designed to be a dependency-free cross-platform swiss army knife for PDB files.☆26Jun 23, 2022Updated 3 years ago
- ☆26Mar 9, 2026Updated 3 months ago
- Computational chemistry benchmark data sets for non-covalent interactions☆29Jan 13, 2025Updated last year
- Tinker-FFE: Molecular Engineering GUI for Tinker☆11Feb 4, 2026Updated 4 months ago
- A VR app which allows creation and manipulation of dynamic models of polypeptides. Focus is fun and learning.☆16Jan 1, 2020Updated 6 years ago
- Spatial Image Analysis of Tissues☆15Dec 8, 2022Updated 3 years ago
- fuses molecular language and graph representation for property prediction☆25Jun 1, 2024Updated 2 years ago
- Cards Against Data Game - Cards Against Humanity for Data Repositories☆12Dec 18, 2020Updated 5 years ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆149Feb 12, 2025Updated last year
- 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.
- Report salient qPCR primer/probe or immune epitope mismatches info against a set of pathogen isolate genomes☆16Mar 11, 2025Updated last year
- Kinase-focused fragment library☆69Updated this week
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆41May 18, 2026Updated 3 weeks ago
- fastsolv python package, website, and paper code☆48Aug 27, 2025Updated 9 months ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- ☆13Jul 25, 2025Updated 10 months ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17May 22, 2020Updated 6 years ago
- Automated construction of protein chimeras and their analysis.☆15Sep 29, 2023Updated 2 years ago
- Main repository for the CAOS language.☆16Dec 7, 2015Updated 10 years ago
- 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.
- Add CMAP parameters into common AMBER prmtop file☆14Sep 12, 2021Updated 4 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Aug 12, 2021Updated 4 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 years ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- A series of jupyter notebooks to help chemistry students learn python for analytical chemistry☆54Oct 22, 2025Updated 7 months ago
- DSW Common Repository☆21Jan 31, 2024Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago
- ☆14Jul 7, 2025Updated 11 months ago
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆16Jul 2, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Files and utilities for protein-emoji☆27Nov 4, 2022Updated 3 years ago
- Target prediction☆14May 8, 2020Updated 6 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- Learn molecular simulation with Python☆17Dec 31, 2024Updated last year
- A python library for replica exchange transition interface sampling with infinite swaps☆14May 26, 2026Updated 2 weeks ago