Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
☆18May 10, 2016Updated 10 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:
- A versatile and interactive package for solving crystal structures from powder diffraction data☆14Oct 2, 2026Updated 2 weeks ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- The automation software that powers the NIST Autonomous Formulation Lab! A flexible, web-based backend for device integration, drivers f…☆18Aug 7, 2026Updated 2 months ago
- A Flexible Tool for EM-Radiation-emitting Semiconductor Heterostructure Optimization using Quantum models☆11Nov 3, 2020Updated 5 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
- 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.
- Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar stru…☆30Sep 28, 2026Updated 2 weeks ago
- This code contributes to predict any properties (heat of formation and crystal data) from a DFT learning database by a supervised machine…☆11Aug 25, 2021Updated 5 years ago
- Computes ELastic Scattering of Electrons and Positrons by neutral Atoms, by Francesc Salvat, Aleksander Jablonski and Cedric J. Powell☆16Nov 24, 2017Updated 8 years ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆31Updated this week
- NIST DTSA-II - Power tools for X-ray Microanalysis☆21Sep 10, 2026Updated last month
- ☆14Jun 4, 2024Updated 2 years ago
- Modern Fortran toolkit for analyzing GROMACS simulations☆14Oct 3, 2020Updated 6 years ago
- ☆11Jan 2, 2021Updated 5 years ago
- A molecule viewer with cavity computation☆17Jul 29, 2026Updated 2 months ago
- 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.
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- 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
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- A simple library for handling NMR data in Julia☆15Sep 2, 2026Updated last month
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Feb 15, 2019Updated 7 years ago
- The Harmonagon™ is a web app that uses simple geometric shapes to teach music to anyone, anywhere, for free.☆13Sep 29, 2017Updated 9 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 last year
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆16Oct 21, 2015Updated 10 years ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Oct 8, 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.
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆17Jun 19, 2021Updated 5 years ago
- EMNLP 2022 Demo "SynKB: Semantic Search for Chemical Synthesis Procedures"☆17Oct 31, 2022Updated 3 years ago
- Pandas-aware non-linear least squares regression using Lmfit☆10Aug 15, 2016Updated 10 years ago
- A Python framework for structural bioinformatics.☆14Jan 20, 2024Updated 2 years ago
- 2026年稳定实惠的翻墙梯子机场推荐与深度评测（持续更新）☆17Mar 19, 2026Updated 6 months ago
- A python package for simulation and analysis of dynamic Boolean network models☆11Jan 23, 2019Updated 7 years ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- Bayesian inference of conformational populations☆14Jun 11, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Interactive Matplotlib tutorial☆34Mar 8, 2021Updated 5 years ago
- EPQ is the Electron Probe Quantification library - the basis for DTSA-II☆22Sep 10, 2026Updated last month
- Copernicus☆18Oct 27, 2017Updated 8 years ago
- A VMD script to calculate side-chain and backbone dihedrals (torsion angles)☆14Jun 4, 2016Updated 10 years ago
- NAMD QM/MM Tutorial on Free Energy Profile of Reaction Mechanisms☆17Sep 14, 2018Updated 8 years ago
- CASTEPconv, a tool to automate convergence calculations with CASTEP☆14Aug 9, 2021Updated 5 years ago