DynamiSpectra: Decode molecular motion with precision and power
☆24Sep 16, 2025Updated 11 months ago
Alternatives and similar repositories for DynamiSpectra
Users that are interested in DynamiSpectra are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Software for automated molecular dynamics simulation☆31Mar 5, 2026Updated 5 months ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆40Jul 17, 2026Updated last month
- ☆16Jul 2, 2025Updated last year
- The gmx_rrcs script is designed to calculate the residues-residues contact scores (rrcs) from a trajectory file generated by GROMACS.☆18Jun 16, 2025Updated last year
- ☆29Updated this week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Automated bonded parameters for Martini 3☆27Jul 20, 2025Updated last year
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆114Aug 18, 2026Updated 2 weeks ago
- The official code repository of "OmniESI: A unified framework for enzyme-substrate interaction prediction with progressive conditional de…☆33Aug 26, 2025Updated last year
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆38Aug 16, 2026Updated 2 weeks ago
- The official repository for TherML - a machine learning approach to predict scFv and antibody thermostability☆15Sep 8, 2023Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Feb 27, 2026Updated 6 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆66Aug 2, 2025Updated last year
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆44Jul 24, 2026Updated last month
- [BIB 2022] The official repository of our paper "Molormer: A Lightweight Self-Attention-Based Method Focused on Spatial Structure of Mole…☆12Oct 6, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Yasara plugins for Gromacs users☆35Jan 8, 2024Updated 2 years ago
- ☆17Jun 10, 2026Updated 2 months ago
- gmx_corr converts the covariance matrix which is produced by GROMACS covar to cross correlation matrix and creates a heat map figure.☆11Oct 11, 2022Updated 3 years ago
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆34Dec 10, 2023Updated 2 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated 7 months ago
- MetEx is a tool to extract and annotate metabolites from liquid chromatography–mass spectrometry data.☆18Nov 14, 2023Updated 2 years ago
- Python module for identification of conserved water molecules from molecular dynamics trajectories.☆15Aug 26, 2026Updated last week
- ☆35Aug 3, 2026Updated 3 weeks ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆100May 16, 2026Updated 3 months 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.
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- AI-powered ab initio biomolecular dynamics simulation☆582Feb 18, 2025Updated last year
- Jupyter-based tool for membrane segmentation manipulation☆10Jul 9, 2025Updated last year
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆54Oct 27, 2025Updated 10 months ago
- Public version for DistPepFold☆10Jul 17, 2025Updated last year
- OMNI-P2x: A universal neural network potential for excited states☆16Mar 19, 2026Updated 5 months ago
- FusionProt: Fusing Sequence and Structural Information for Unified Protein Representation Learning☆18Dec 13, 2025Updated 8 months ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆72Jul 25, 2026Updated last month
- Converts Dynamo tables to star files for coordinate import into RELION 4.0☆14Jul 25, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Software for automated molecular dynamics exploration☆132Updated this week
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- Automated Discovery of Interactions and Dynamics for Large Networked Dynamical Systems☆16Jun 15, 2021Updated 5 years ago
- EvolveX, a de novo antibody computational design pipeline.☆24Sep 18, 2025Updated 11 months ago
- A performance-oriented prototyping harness for state of the art Molecular Dynamics algorithms☆18Updated this week
- model builder for molecular dynamics simulations☆16Feb 16, 2023Updated 3 years ago