☆11Oct 1, 2025Updated 10 months ago
Alternatives and similar repositories for gaussianutility
Users that are interested in gaussianutility are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Depiction of Potential Energy Surfaces☆18Oct 1, 2025Updated 10 months ago
- A simple program to solve the Eyring Equation and first/second order kinetics.☆22Jun 23, 2025Updated last year
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 years ago
- Kinetic Monte Carlo simulator for polymerization reactions☆13Dec 30, 2016Updated 9 years ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆37Nov 9, 2023Updated 2 years ago
- Computational Chemistry Input Generator☆52Jun 11, 2026Updated 2 months ago
- Website documentation for the VeloxChem program.☆18Jul 9, 2026Updated last month
- CLI tool for managing AI assistant skills and slash commands across multiple LLM platforms☆35Jun 22, 2026Updated last month
- Simulation package for light-matter interaction.☆26May 1, 2025Updated last year
- Machine learning force field method on transition state searching in Catalyst☆15Sep 5, 2025Updated 11 months ago
- ☆32Apr 1, 2025Updated last year
- Evolutionary Monte Carlo algorithm for optimization in chemical space.☆13Feb 9, 2026Updated 6 months ago
- Repository for the tmQMg dataset files and analysis scripts.☆18Nov 6, 2025Updated 9 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- 基于MindSpore的TinyRAG实现☆18Dec 31, 2024Updated last year
- python code for Multi-Coordinate Driving (MCD) method☆16Jul 16, 2024Updated 2 years ago
- ☆10May 23, 2023Updated 3 years ago
- ☆15Feb 5, 2025Updated last year
- Machine learning desktop application for molecular property prediction and analysis☆23Aug 30, 2025Updated 11 months ago
- Experimental framework for running pytorch experiments☆14Mar 6, 2023Updated 3 years ago
- A comprehensive tool that automates the extraction of global and local cDFT descriptors using Multiwfn.☆17Mar 24, 2026Updated 4 months ago
- xyz2mol for transition metal complexes.☆20Feb 6, 2026Updated 6 months ago
- Rosetta Funclib☆25May 9, 2020Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Zero Shot Molecular Generation via Similarity Kernels☆29Aug 27, 2025Updated 11 months ago
- PaCS-Toolkit: Optimized software utilities for PaCS-MD and following analysis☆28Dec 14, 2025Updated 8 months ago
- One place for all Clawpack-style Riemann solvers☆53Jul 25, 2026Updated 3 weeks ago
- Uncertainty quantification (UQ) for Machine-Learning Interatomic Potentials (MLIPs)☆30Aug 5, 2026Updated last week
- Accelerated molecular crystal structure determination from powder diffraction data☆13Jun 20, 2025Updated last year
- Create atomistic structures with ASE, rdkit and packmol☆27Updated this week
- Coaching a Teachable Student☆19Aug 1, 2023Updated 3 years ago
- AutoMat focuses on characterization to property analysis.☆25Jul 16, 2026Updated 3 weeks ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Simmate: a full-stack framework for chemistry research.☆37Updated this week
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- Python interface for running COMETS simulations and analyzing the results☆16May 19, 2026Updated 2 months ago
- ☆61Mar 14, 2023Updated 3 years ago
- ☆16Jan 22, 2026Updated 6 months ago
- Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)☆11Apr 29, 2022Updated 4 years ago
- ☆30Aug 25, 2023Updated 2 years ago