Repository for the code and documentation of EveRplot
☆16May 17, 2026Updated 4 months ago
Alternatives and similar repositories for EveRplot
Users that are interested in EveRplot 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 simple program to solve the Eyring Equation and first/second order kinetics.☆22Jun 23, 2025Updated last year
- Public FSM implementation with support for ML-based potential energy surfaces☆17Updated this week
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆20Aug 25, 2021Updated 5 years ago
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated last year
- This is the repository corresponding to the TS-tools project.☆27Mar 3, 2026Updated 6 months ago
- AI Agents on 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.
- Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Ch…☆56Updated this week
- Automation of computational chemistry tasks using GAMESS, Orca, PSI4 and Gaussian. Gamess tasks emphasise the use of FMO calculations.☆25Apr 27, 2025Updated last year
- sTDA-xTB Hamiltonian for ground state☆26Aug 11, 2026Updated last month
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- Encoding chemistry to interpret crystallographic data☆30Sep 8, 2026Updated last week
- Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.☆14Feb 23, 2026Updated 6 months ago
- DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…☆23Sep 24, 2025Updated 11 months ago
- Mindless molecule generator in a Python package.☆43Jan 22, 2026Updated 7 months ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 6 months ago
- 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.
- An ASE interface to Amesp☆13Oct 8, 2023Updated 2 years ago
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆133Updated this week
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Updated this week
- ☆22Jul 23, 2026Updated last month
- LOL(英雄联盟)一键载入自定义天赋(符文)☆10Sep 18, 2022Updated 4 years ago
- Chemistry toolkit for simulating the aqueous speciation of metal-oxo clusters☆12Jul 6, 2026Updated 2 months ago
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Aug 3, 2026Updated last month
- Molecular Library Toolbox☆69Apr 27, 2026Updated 4 months ago
- Tools for performing vibrational analysis on molecular systems.☆20Sep 15, 2023Updated 3 years ago
- 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.
- Automated Complex Generator☆16Dec 16, 2024Updated last year
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆62Updated this week
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆14Jun 27, 2025Updated last year
- Terminal based crystal structure viewer☆15Jun 19, 2026Updated 3 months ago
- ☆16Nov 29, 2023Updated 2 years ago
- ☆49Sep 16, 2025Updated last year
- ORCA Python Interface☆190Sep 7, 2026Updated last week
- Development of DFT-trained machine-learning interatomic potentials for lithium niobate, with applications to large-scale MD simulations i…☆15Jul 23, 2026Updated last month
- Python-based library for working with computational chemistry files☆23Oct 29, 2025Updated 10 months ago
- AI Agents on 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.
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆46Apr 28, 2026Updated 4 months ago
- HIP: Hessians with Interatomic Potentials☆42Sep 8, 2026Updated last week
- Mirror of pDynamo computational chemistry software, which does not currently use a public version control repository☆10Feb 23, 2017Updated 9 years ago
- Quantum to Molecular Mechanics (Q2MM)☆25Sep 4, 2026Updated 2 weeks ago
- ☆19Dec 25, 2024Updated last year
- ☆17Jul 2, 2026Updated 2 months ago
- ☆94Apr 16, 2025Updated last year