MolSpin-Group / MolSpinView external linksLinks
Software package for spin dynamics
☆12Updated this week
Alternatives and similar repositories for MolSpin
Users that are interested in MolSpin are comparing it to the libraries listed below
Sorting:
- An intuitive open-source framework specific to radical pair spin dynamics.☆16Nov 18, 2025Updated 2 months ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Mar 21, 2025Updated 10 months ago
- ☆13Oct 13, 2025Updated 4 months ago
- A software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.☆11Jan 29, 2021Updated 5 years ago
- CryoBoltz code for protein structure prediction with cryo-EM guidance. NeurIPS 2025.☆21Nov 30, 2025Updated 2 months ago
- Collection of Tools for Computational Materials Science☆12Nov 1, 2022Updated 3 years ago
- Prepare topology and coordinate file for CG models in Genesis.☆13Jul 3, 2025Updated 7 months ago
- Local deployment guidance of Qwen3 for developer, and CLI script implementation.☆16May 1, 2025Updated 9 months ago
- Analyze correlations in lithium-ion diffusion trajectories☆11Apr 24, 2024Updated last year
- When you face some problem in drug discovery, just delete☆12Aug 3, 2024Updated last year
- Visual Molecular Dynamics in Docker Container☆12Jan 1, 2015Updated 11 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Updated this week
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- Solve the N-D time-independent Schrödinger equation for a single particle.☆10Nov 24, 2019Updated 6 years ago
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 5 years ago
- Tools for geometric learning☆11Sep 26, 2025Updated 4 months ago
- Langevin and Hybrid Quantum Monte Carlo Simulations of Electron-Phonon Models☆13Aug 15, 2022Updated 3 years ago
- Julia bindings to chemfiles☆42Aug 22, 2025Updated 5 months ago
- A python implementation of spherical Bessel transform (SBT) based on algorithm proposed by J. Talman.☆13Dec 18, 2023Updated 2 years ago
- ☆12Oct 9, 2024Updated last year
- SST2 implementation in openmm☆19Jan 19, 2026Updated 3 weeks ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 9 years ago
- GPU accelerating computing for Bayesian inference of electron microscopy images. BioEM is a publicly available software that enables the …☆11Apr 7, 2023Updated 2 years ago
- a python package for reduced density matrix techniques☆16Sep 4, 2020Updated 5 years ago
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- A Model Context Protocol (MCP) server that provides access to the Protein Data Bank (PDB) - the worldwide repository of information about…☆20Dec 21, 2025Updated last month
- ☆13Dec 15, 2025Updated last month
- Code for paper https://arxiv.org/abs/2306.07961☆53Sep 18, 2025Updated 4 months ago
- Collection of some analytical bond order potentials ( listed in the LAMMPS format) from literature☆17Dec 12, 2022Updated 3 years ago
- Hyphenate your way to glory! Or centrality.☆12Jul 24, 2025Updated 6 months ago
- GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collectiv…☆12Feb 20, 2024Updated last year
- many-body perturbation theory without empty states☆12Jul 6, 2018Updated 7 years ago
- Julia package for studying electron-phonon coupling☆16Aug 18, 2025Updated 5 months ago
- A structured, community-driven learning hub for computational chemistry, covering foundations, methods, tools, practical workflows, and h…☆34Jan 5, 2026Updated last month
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- thread-safe and flexible temporary arrays and object cache for semi-manual memory management☆14Jul 28, 2023Updated 2 years ago
- generate pseudo-AFM image file from structure file☆15May 15, 2024Updated last year
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆15Dec 11, 2025Updated 2 months ago
- materials science related animations☆13Jan 9, 2025Updated last year