This is JSmol viewer widget for Jupyter Notebooks and JupyterLab
☆33Mar 7, 2023Updated 3 years ago
Alternatives and similar repositories for jupyter-jsmol
Users that are interested in jupyter-jsmol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- PaiNN in jax☆11Jan 14, 2025Updated last year
- Script to facilitate the making of horizontal scripts☆18May 25, 2024Updated 2 years ago
- Tutorial for "Advances in machine learning for molecules" (for Summer School for Machine Learning in Bioinformatics, https://cs.hse.ru/ss…☆20Aug 26, 2020Updated 5 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆12May 13, 2023Updated 3 years ago
- A conda-smithy repository for jupyterlab.☆13Updated this week
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆14Apr 21, 2026Updated last month
- Streamlit web application to deploy a machine learning binary classifier to predict the activity of antimicrobial peptides☆10Dec 13, 2022Updated 3 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆11Sep 23, 2024Updated last year
- IPython magic for simple, organized, compressed and encrypted: storage & transfer of files between notebooks.☆13Apr 13, 2026Updated last month
- A JupyterLab launcher extension to view the molecular orbitals.☆19Sep 12, 2024Updated last year
- 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.
- Gauge-including magnetically induced currents.☆33Dec 7, 2023Updated 2 years ago
- Implements core functions for AiiDAlab.☆16Updated this week
- graph2mat: Graph to matrix conversion☆23May 29, 2026Updated last week
- Julia Library for Interatomic Potentials☆88Apr 14, 2025Updated last year
- Using the Stan statistical modelling language from Clojure using the CmdStan CLI☆11May 1, 2025Updated last year
- Automated reaction discovery and dataset generation with the growing string method☆22Feb 6, 2020Updated 6 years ago
- 🧪 📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VI…☆126Nov 25, 2023Updated 2 years ago
- Pseudopotential Studio☆21May 6, 2021Updated 5 years ago
- FingerPrint Kit - Python-based cheminformatics package for fingerprint-related tasks☆12Jun 4, 2025Updated last year
- 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.
- Simple tool to convert Agilent, Bruker and Varian FID files to sound.☆17May 6, 2020Updated 6 years ago
- molecule design for fluorescence☆12Nov 22, 2021Updated 4 years ago
- ChatGPT Chemistry Assistant☆88Aug 7, 2023Updated 2 years ago
- 2D molecule visualization component☆22Nov 2, 2016Updated 9 years ago
- Arduino based polar plotter☆27Dec 3, 2013Updated 12 years ago
- The November 2021 pre-conference workshops of re:Clojure☆14Dec 22, 2021Updated 4 years ago
- Code used in paper for G-loop mining.☆23Feb 23, 2025Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆48May 14, 2026Updated 3 weeks ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years 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.
- ☆42Jun 1, 2026Updated last week
- The SWIRL code is a python implementation of the "Estimated Vortex Center" (EVC) method for an automated identification of vortices in tw…☆12May 12, 2024Updated 2 years ago
- QE-GIPAW for Quantum-Espresso (official repository)☆40May 25, 2026Updated 2 weeks ago
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆13Mar 27, 2026Updated 2 months ago
- Introductory QMC teaching material for Python☆13Jun 8, 2016Updated 10 years ago
- ☆12Feb 13, 2025Updated last year
- Tight-Binding Modeling for Materials at Mesoscale☆14Jan 19, 2018Updated 8 years ago