Exploratory PyMOL-MDAnalysis molecular visualization system.
☆19Apr 14, 2022Updated 3 years ago
Alternatives and similar repositories for pymol-mdanalysis
Users that are interested in pymol-mdanalysis are comparing it to the libraries listed below
Sorting:
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 2 years ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆16Jun 14, 2024Updated last year
- ☆12Oct 9, 2024Updated last year
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆81Apr 6, 2025Updated 11 months ago
- ☆12Mar 7, 2022Updated 4 years ago
- Data projects in relation to psychedelics therapeutic research☆11Feb 17, 2023Updated 3 years ago
- Using ESP32 and ESP-IDF to control a garage door. Also uses the inside hall sensor to determine the state of the door (open or close).☆10Jun 19, 2020Updated 5 years ago
- ☆35Oct 14, 2024Updated last year
- Fast, accurate, and deterministic protein side-chain packing☆37Feb 28, 2025Updated last year
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆94Jul 16, 2025Updated 7 months ago
- The latest documentation for the Materials Project.☆12Feb 26, 2026Updated last week
- pyProCT is an open source cluster analysis software especially adapted for jobs related with structural proteomics. Its approach allows u…☆10Aug 24, 2017Updated 8 years ago
- A manually curated lists of software, publications and other resources related to the analysis of HDX-MS data.☆11Dec 15, 2025Updated 2 months ago
- Script to check required packages for Schrödinger suite on Linux machine☆13Jan 7, 2026Updated 2 months ago
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Mar 11, 2025Updated 11 months ago
- Visual Molecular Dynamics in Docker Container☆12Jan 1, 2015Updated 11 years ago
- Utility scripts and programs for VASP calculations☆20Feb 16, 2026Updated 3 weeks ago
- 🗣️ Resources for tech talks I've given.☆13Sep 9, 2022Updated 3 years ago
- ParametrizANI - Fast, Accurate and Free Dihedral Parametrization in the Cloud with TorchANI☆22Jul 28, 2025Updated 7 months ago
- Synthetic histology using GANs, for deep learning model explainability and trainee education.☆16Jan 5, 2024Updated 2 years ago
- Adding hydrogens to molecular models☆57Nov 24, 2025Updated 3 months ago
- scGNN (single cell graph neural networks) for single cell clustering and imputation using graph neural networks☆11Aug 4, 2020Updated 5 years ago
- FDMNES☆10Jan 28, 2021Updated 5 years ago
- Ligand-Receptor docking with AutoDock Vina☆12Mar 21, 2024Updated last year
- Packed Bed Generator☆14Jul 24, 2018Updated 7 years ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 4 months ago
- A script library for use with the Drafts app.☆11Oct 30, 2021Updated 4 years ago
- Python code to automatically interact with PDBePISA web server☆10Jun 27, 2022Updated 3 years ago
- Examples of projects using Arduino and ESP8266☆13Oct 6, 2014Updated 11 years ago
- Protocols for running MD simulations in Gromacs☆10Jun 18, 2024Updated last year
- A unified and modular interface to homology modelling software☆12Sep 27, 2023Updated 2 years ago
- Code and scripts used in analysis of snRNAseq cerebellar cortex atlas☆12Oct 11, 2021Updated 4 years ago
- Dynamics PyMOL Plugin☆48Apr 19, 2024Updated last year
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 5 years ago
- ☆16Nov 20, 2025Updated 3 months ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Single-cell RNA-seq clustering and annotation☆13Oct 26, 2020Updated 5 years ago