Ångström, a Python package for molecular architecture and visualization
☆18May 15, 2020Updated 6 years ago
Alternatives and similar repositories for angstrom
Users that are interested in angstrom are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular kaleidoscope☆15Apr 11, 2018Updated 8 years ago
- pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…☆28Aug 20, 2020Updated 6 years ago
- python code for the JUAMI potentiostat☆12Jun 21, 2026Updated 3 months ago
- DEPRECATED: (previously a thin wrapper around conda for xonsh)☆10Aug 6, 2019Updated 7 years ago
- A script for importing molecular geometries into Blender☆35Jun 18, 2026Updated 3 months 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.
- Normal Mode Analysis for Macromolecules☆18Apr 1, 2017Updated 9 years ago
- Plugin for adding a marker to slow running tests. 🐌☆15Nov 7, 2019Updated 6 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Chemxls can recursively analyze directories and mine data from some of the most common computational chemistry input and output files. Th…☆20Feb 20, 2021Updated 5 years ago
- Scripts for calculating RESP charges with Gaussian, starting only with .xyz file of your compound. Generate .mol2, .frcmod and .pdb with …☆10Mar 26, 2019Updated 7 years ago
- Julia utilities for reading in and analyzing Gromacs simulation results☆19Oct 3, 2020Updated 5 years ago
- Bondorder and formal charge determination for molecules☆10Jan 16, 2022Updated 4 years ago
- kinetic isotope effect prediction with Gaussian☆19Jun 17, 2026Updated 3 months ago
- Detector for Floating Point Precision Loss☆20Updated this 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.
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 8 years ago
- Molecular mechanics systems and simulation data☆20Jun 3, 2024Updated 2 years ago
- Implementation of various machine learning representations for molecules☆25Jan 7, 2022Updated 4 years ago
- ☆14Jul 11, 2026Updated 2 months ago
- Julia toolbox for molecular simulations☆23Jan 18, 2017Updated 9 years ago
- Coming Soon...☆10Mar 14, 2022Updated 4 years ago
- Cookiecutter template for FastAPI + Panel projects in Python☆10Apr 18, 2022Updated 4 years ago
- RDKit integration to SQLAlchemy☆10Oct 6, 2020Updated 5 years ago
- An Neural Networks based QSAR Model and a Connector to SSD☆10Sep 29, 2017Updated 8 years ago
- 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.
- Python client for TeraChem Cloud☆13Jul 16, 2026Updated 2 months ago
- The core part of Atomic Charge Calculator III.☆30Apr 30, 2026Updated 4 months ago
- Data for Coordination Complexes for the InChI Identifier☆12May 11, 2021Updated 5 years ago
- Repo hosting the MetFrag website☆11Apr 6, 2026Updated 5 months ago
- Deprecated, visit chembience/core for further develompment. (A Docker-based, cloudable platform for the development of chemoinformatics-c…☆47May 27, 2026Updated 4 months ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- An application for creating and generating fancy looking DMG's quickly and easily.☆13Nov 30, 2020Updated 5 years ago
- Scoring functions to compare MS/MS spectra☆11Feb 22, 2017Updated 9 years ago
- ☆15Oct 9, 2025Updated 11 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.
- Alistair Miles' blog☆12Jan 10, 2025Updated last year
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- Library for reading and writing chemistry files☆204Jun 19, 2026Updated 3 months ago
- Molecular Query Language☆33Jun 24, 2024Updated 2 years ago
- Shiny app for retention time prediction☆11Dec 1, 2025Updated 9 months ago
- public snapshot of current connotea code under GIT revision control☆15May 1, 2009Updated 17 years ago
- Fully Connected Memristor based Neural Network Simulator☆10Jun 7, 2024Updated 2 years ago