Orbital viewer (mirror of https://gitlab.com/Jellby/Pegamoid)
☆17Oct 1, 2025Updated 7 months ago
Alternatives and similar repositories for Pegamoid
Users that are interested in Pegamoid are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An eigensolver used to scale up SQD chemistry workflows past 30 orbitals☆27May 1, 2026Updated 3 weeks ago
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- ☆11Apr 8, 2024Updated 2 years ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- Pykinetic is a project that aims to facilitate the automation and generation of kinetic and microkinetic models. Pykinetic acts as an int…☆12Jun 4, 2025Updated 11 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Galaxy Tools for Computational Chemistry☆16Mar 25, 2025Updated last year
- Framework for Molecular Aggregate Excitation☆31May 12, 2026Updated 2 weeks ago
- A lightweight script to make vector images of molecules☆20Oct 17, 2025Updated 7 months ago
- This is the repository corresponding to the TS-tools project.☆27Mar 3, 2026Updated 2 months ago
- Secure Tarfile library☆12Updated this week
- Shiny app to perform standard machine learning tasks☆10Aug 19, 2019Updated 6 years ago
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- python API for rowan☆20May 21, 2026Updated last week
- A simple X11 molecular viewer☆24Mar 22, 2026Updated 2 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- High-throughput DFT of MOFs using ASE/VASP☆31May 22, 2023Updated 3 years ago
- Embed Python in LaTeX☆21Nov 29, 2013Updated 12 years ago
- Python script for command-line manipulation of molecules☆22May 20, 2026Updated last week
- Molcas wavefunction assistent☆13Jul 2, 2021Updated 4 years ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- ☆122Jun 9, 2025Updated 11 months ago
- Python library to manipulate ESC/POS Printers.☆11Dec 21, 2016Updated 9 years ago
- xyz2mol for transition metal complexes.☆19Feb 6, 2026Updated 3 months ago
- ☆31Nov 4, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Collection of tiny utilities for working on data streams☆14Apr 2, 2023Updated 3 years ago
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- IMAP to IMAP forwarder: forward emails from one IMAP server to another!☆18Nov 24, 2024Updated last year
- Communicate with Renogy Rover Solar Charge Controllers (ML2420, ML2430, ML2440) via RS232 and get current measurement values.☆13Apr 8, 2024Updated 2 years ago
- Quantum machine learning (QML) molecular representations and core functions☆25Feb 21, 2026Updated 3 months ago
- Collection of arguably useful shell scripts.☆19Mar 2, 2026Updated 2 months ago
- Computational Chemistry Input Generator☆51Feb 12, 2026Updated 3 months ago
- Home Assistant UPS Hat integration. Waveshare and others based on INA219☆18Nov 12, 2024Updated last year
- A way to treat your python objects like files on disk☆13Apr 15, 2025Updated last year
- 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.
- esphome configuration for sinilink power supply modules (XY5008, XYH3606, ...)☆22Nov 3, 2025Updated 6 months ago
- AC 209 Data Science Final project - A data driven, Quantum Mechanical understanding of Chemistry AKA Trying to make sense of 134k quantum…☆18Jun 23, 2015Updated 10 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆34Aug 10, 2022Updated 3 years ago
- ☆39Apr 21, 2026Updated last month
- Unofficial LuaLaTeX template for PhD theses at the University of Stuttgart, Germany; used e.g. for my PhD thesis: https://arxiv.org/abs/1…☆19Aug 23, 2019Updated 6 years ago
- A TreeSitter parser for Neorg's `document.metadata` Tag☆18Mar 23, 2026Updated 2 months ago
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆17Nov 20, 2025Updated 6 months ago