☆13Feb 3, 2026Updated 2 months ago
Alternatives and similar repositories for IterativeRotationsAssignments
Users that are interested in IterativeRotationsAssignments are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Algorithms for fast alignment of structures in finite and periodic systems.☆15Aug 11, 2022Updated 3 years ago
- polygon (ring network) discovery from XYZ files☆11Jun 21, 2016Updated 9 years ago
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆17Nov 20, 2025Updated 4 months ago
- Memory Mapped files in Fortran☆12Aug 22, 2025Updated 7 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Call C system routines (mostly POSIX) from Fortran☆19Jul 29, 2025Updated 8 months ago
- ☆11Apr 25, 2021Updated 4 years ago
- Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"☆13Jul 2, 2023Updated 2 years ago
- rime 有声调普通话拼音方案☆11Sep 16, 2020Updated 5 years ago
- User friendly, flexible and extensible object-oriented Fortran unit testing framework for testing serial, MPI-parallelized and coarray-pa…☆23Feb 20, 2024Updated 2 years ago
- Python computational experiment management☆12Jul 21, 2022Updated 3 years ago
- Stochastic model for lava flows☆13Apr 15, 2024Updated last year
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆13Updated this week
- Forward mode automatic differentiation for Fortran☆24Dec 4, 2025Updated 4 months 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.
- ☆31Feb 9, 2026Updated 2 months ago
- A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling metho…☆23Sep 26, 2024Updated last year
- A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)☆22Apr 13, 2021Updated 5 years ago
- ☆18Nov 19, 2024Updated last year
- ☆17May 12, 2025Updated 11 months ago
- This package is meant to calculate the dihedral entropy of a biomolecule. However, it can also calculate the entropy of any binnable dat…☆23Feb 2, 2024Updated 2 years ago
- Utopia is a comprehensive modelling framework for complex and evolving systems. Docs @ https://docs.utopia-project.org — NOTE: This repos…☆20Nov 14, 2024Updated last year
- A fully open-source Tarock program for playing online (through WebSocket-based backend) or offline (using bots). Integrates StockŠkis cus…☆24Jan 28, 2025Updated last year
- The d-SEAMS C++ core engine☆39Mar 24, 2026Updated 2 weeks 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.
- A Fortran 2023 correctness-checking framework supporting expressive idioms for writing assertions and tests☆45Mar 10, 2026Updated last month
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- ☆29Nov 17, 2025Updated 4 months ago
- Count rings in a undirected graph.☆18May 6, 2023Updated 2 years ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- ☆27Mar 13, 2026Updated 3 weeks ago
- Tool to compute bond and angle force field parameters with the Seminario method☆14Apr 15, 2018Updated 7 years ago
- CmuMD implementation for PLUMED2☆22Aug 4, 2023Updated 2 years ago
- ☆40Feb 22, 2026Updated last month
- 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.
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 2 months ago
- ☆11Aug 30, 2020Updated 5 years ago
- mmCIF-based extension dictionary for computed structure models☆24Feb 5, 2026Updated 2 months ago
- ☆11Sep 16, 2024Updated last year
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- Flexible & extensible object oriented Fortran unit testing framework for serial, MPI-parallel and coarray-parallel projects☆31Nov 28, 2025Updated 4 months ago
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated last week