Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
☆16May 10, 2016Updated 9 years ago
Alternatives and similar repositories for sassena
Users that are interested in sassena are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- GROM is a GROMACS(mdp,itp,top) files with Syntax Highlighting and PDB Editor with visual cues in one package based on Qt5,PyQt5 and Pyth…☆11Nov 14, 2016Updated 9 years ago
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆10Aug 25, 2021Updated 4 years ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆12Jan 9, 2026Updated 2 months ago
- Bottom-up Open-source Coarse-graining Software☆21Aug 9, 2024Updated last year
- 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.
- A Flexible Tool for EM-Radiation-emitting Semiconductor Heterostructure Optimization using Quantum models☆11Nov 3, 2020Updated 5 years ago
- ☆14Nov 15, 2024Updated last year
- A molecule viewer with cavity computation☆17May 21, 2025Updated 10 months ago
- ☆15Apr 8, 2023Updated 2 years ago
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆14Nov 24, 2020Updated 5 years ago
- Gromacs Implementation of OPLS-AAM Force field☆15Aug 5, 2018Updated 7 years ago
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Feb 15, 2019Updated 7 years ago
- Modern Fortran toolkit for analyzing GROMACS simulations☆14Oct 3, 2020Updated 5 years ago
- ABLATE is a UB CHREST project focused on leveraging advances in both exascale computing and machine learning to better understand the tur…☆12May 7, 2025Updated 10 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Julia utilities for reading in and analyzing Gromacs simulation results☆17Oct 3, 2020Updated 5 years ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆39May 28, 2025Updated 9 months ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- Dynamic Flux Balance analysis in Python☆11Jan 22, 2016Updated 10 years ago
- The Harmonagon™ is a web app that uses simple geometric shapes to teach music to anyone, anywhere, for free.☆13Sep 29, 2017Updated 8 years ago
- A library for converting molecular topologies☆13May 20, 2015Updated 10 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Bayesian inference of conformational populations☆13Jun 11, 2025Updated 9 months ago
- Basic functionality of usb2lin06 device implemented for use in linux with python. See also C routines by @ranma1988☆15Oct 31, 2022Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- A VMD script to calculate side-chain and backbone dihedrals (torsion angles)☆14Jun 4, 2016Updated 9 years ago
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 5 years ago
- C++ implementation of the Diffusion Map, with Python bindings☆10Aug 22, 2017Updated 8 years ago
- Tool for generating MARTINI Polymer itps and structures☆17Aug 1, 2020Updated 5 years ago
- Open-source implementation of PC-SAFT equation of state☆12Oct 20, 2022Updated 3 years ago
- A simple 2D euler equation solver using finite volumes☆14Jan 6, 2023Updated 3 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Sep 25, 2023Updated 2 years ago
- A Python framework for structural bioinformatics.☆14Jan 20, 2024Updated 2 years ago
- Yell is a program for diffuse scattering interpretation using the 3D-∆PDF refinement.☆13Mar 6, 2026Updated 3 weeks ago
- 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.
- A python package for simulation and analysis of dynamic Boolean network models☆11Jan 23, 2019Updated 7 years ago
- Mapping from Coarse Grain Models to Atomistic (and Back)☆19Sep 27, 2023Updated 2 years ago
- discontinuous Galerkin CFD solver with automated, unstructured quad/hex meshing☆13Jan 30, 2026Updated last month
- MultiResolution Computation Program Package☆13Mar 11, 2026Updated 2 weeks ago
- 3-D PIC plasma simulation code (Cartesian-coordinate Oblique-boundary Particles and Thermals In Cell) with a wide variety of embedded obj…☆12Oct 22, 2024Updated last year
- Free and open-source code package designed to perform PyMEEP FDTD simulations applied to Plasmonics (UBA+CONICET) [Buenos Aires, Argentin…☆20Jan 19, 2022Updated 4 years ago
- Simulation of ODMR spectra for Nitrogen Vacancy ensembles☆13Jan 9, 2023Updated 3 years ago