Strain Visualization for Inherently Strained Organic Molecules
☆25Apr 29, 2023Updated 2 years ago
Alternatives and similar repositories for StrainViz
Users that are interested in StrainViz are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Gauge-including magnetically induced currents.☆32Dec 7, 2023Updated 2 years ago
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆75Feb 2, 2025Updated last year
- Gaussian Approximation Potential Training☆17Jan 22, 2022Updated 4 years ago
- ☆20Dec 15, 2025Updated 4 months ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 8 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A Chrome extension to add Sci-HUB or Lib-Gen download icons to every DOI-link on the page, with various other small changes to make scien…☆20Oct 9, 2023Updated 2 years ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆19Jun 14, 2024Updated last year
- ☆13Mar 25, 2026Updated 3 weeks ago
- ☆12Jul 3, 2021Updated 4 years ago
- A collection of frequency scale factors from various sources.☆15Mar 15, 2023Updated 3 years ago
- Python client for TeraChem Cloud☆13Jun 19, 2025Updated 10 months ago
- Shared repo for trajectory analysis and infrastructure development☆23Feb 21, 2024Updated 2 years ago
- Markov State Models on the Muller potential: a MSMBuilder Tutorial☆12Mar 18, 2013Updated 13 years ago
- Python library to determine the point group of molecular geometries☆14May 22, 2025Updated 10 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆21Jun 6, 2024Updated last year
- M e s t R e N o v a 1 2 . 0 Patch for Win/Mac and A D F 2 0 1 2 Patch for Win/Linux☆16Apr 6, 2026Updated last week
- Scoring of shape and ESP similarity with RDKit☆234Aug 19, 2025Updated 8 months ago
- ☆13Sep 14, 2025Updated 7 months ago
- Program to plot a Ramachandran plot of all dihedral angles from a given PDB file. Background is empirically generated from the peptides …☆13Feb 25, 2025Updated last year
- An API for the Polarizable Continuum Model☆36May 31, 2023Updated 2 years ago
- ☆18Oct 16, 2019Updated 6 years ago
- A package for creating a matrix product state (MPS) from a free fermion (Gaussian) state.☆10Dec 6, 2021Updated 4 years ago
- Tools for performing vibrational analysis on molecular systems.☆18Sep 15, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Automated reaction discovery and dataset generation with the growing string method☆22Feb 6, 2020Updated 6 years ago
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆45Nov 3, 2022Updated 3 years ago
- ☆24Oct 9, 2025Updated 6 months ago
- Find the maximally inscribed, axis-aligned rectangle for a given polygon☆50Jan 11, 2022Updated 4 years ago
- Source code for the BUDE Alanine Scan web application.☆12May 27, 2025Updated 10 months ago
- Implementing the Double-Slit experiment in Python☆12Jan 7, 2021Updated 5 years ago
- MCPB Bundle for connecting Claude Desktop to Macuse. Macuse is a macOS app that bridges AI assistants with native macOS functionality.☆25Mar 3, 2026Updated last month
- Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020☆12May 4, 2021Updated 4 years ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Julia package wrapping SHTOOLS, the Spherical Harmonic Tools☆11Oct 17, 2023Updated 2 years ago
- Package to make analysis of transmission electron microscopy images simple.☆16Updated this week
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- Configure the keyboard backlight on ASUS laptops.☆17Mar 20, 2018Updated 8 years ago
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆22Nov 23, 2017Updated 8 years ago
- TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.☆11Nov 10, 2021Updated 4 years ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆59Mar 30, 2026Updated 2 weeks ago