Automated chemical reaction networking with long-timescale kinetic simulations in Julia
☆11Aug 2, 2025Updated last year
Alternatives and similar repositories for Kinetica.jl
Users that are interested in Kinetica.jl are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- i-PI: a universal force engine☆13May 12, 2026Updated 5 months ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated last year
- ☆12Oct 9, 2025Updated last year
- Interactive command-line pre/post-processing copilot for the ABACUS DFT software (GPL-3.0)☆40Oct 1, 2026Updated 3 weeks ago
- Automated discovery of reaction Mechanisms and Kinetics☆38Oct 9, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Mol-JEPA multimodal molecular foundation model☆29Oct 14, 2026Updated last week
- ☆68Oct 9, 2025Updated last year
- A general purpose library to study vibrational problems using diffusion monte carlo☆17May 21, 2026Updated 5 months ago
- ☆20Nov 19, 2024Updated last year
- A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.☆11May 28, 2022Updated 4 years ago
- ☆15Nov 13, 2022Updated 3 years ago
- Updated fast, rule-free atom mapping for chemical reactions with a full pipeline to train, select, and evaluate your own RXNMapper/ALBERT…☆20Aug 20, 2026Updated 2 months ago
- MCP server for the EVEE (Evo Variant Effect Explorer) API — variant effect prediction from genomic foundation model embeddings☆18May 20, 2026Updated 5 months ago
- RPMD and rate constant calculations on black-box and machine-learning potential energy surfaces☆17Sep 15, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A simple tool for adapting a pretrained Huggingface model to a new vocabulary with (almost) no training.☆13Aug 12, 2025Updated last year
- Source code and examples for searching structures using RANGE☆15Aug 26, 2026Updated last month
- ☆31Aug 14, 2022Updated 4 years ago
- ☆24Aug 23, 2026Updated last month
- MESS: Modern Electronic Structure Simulations☆21Sep 24, 2024Updated 2 years ago
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆13Apr 29, 2026Updated 5 months ago
- 找了一堆互联网抽象文案蒸馏出来的神人,欢迎添加新的神人语录☆30May 26, 2026Updated 4 months ago
- Official code implementation of *Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling* (NeurIPS 2025).☆18Nov 5, 2025Updated 11 months ago
- Deep Potential Evolution Accelerator☆37Oct 14, 2026Updated last week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolu…☆12May 26, 2021Updated 5 years ago
- Many-body dispersion library☆13Sep 16, 2026Updated last month
- ☆31Jun 30, 2026Updated 3 months ago
- A free and open platform for interactive benchmarking and simulations using machine learning interatomic potentials☆24Oct 14, 2026Updated last week
- ☆56Jul 13, 2022Updated 4 years ago
- Fast, lightweight reaction classification with high granularity☆33Jul 13, 2026Updated 3 months ago
- ☆14Jan 30, 2025Updated last year
- a Python program for running QM/MM simulations using Q-Chem and OpenMM☆16Apr 24, 2022Updated 4 years ago
- The Modular and Open-source Implicit Solvation Toolkit (MOIST): smooth, differentiable molecular cavities, efficient PCMs, pressure (GOST…☆27Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Molecular Crystal Representation from Transformer☆17Dec 19, 2024Updated last year
- An extention to the GaLore paper, to perform Natural Gradient Descent in low rank subspace☆19Oct 21, 2024Updated 2 years ago
- ☆23Dec 10, 2024Updated last year
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated 2 years ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆63Updated this week
- This project aims to extend the Atomic Simulation Environment (ASE) to more naturally represent the properties of zeolites and facilitate…☆21Feb 24, 2026Updated 7 months ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆20Feb 19, 2016Updated 10 years ago