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
- A collection of links to free and proprietary curve fitting software.☆13Dec 8, 2024Updated last year
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- Code for Neural Estimation of the Rate-Distortion Function With Applications to Operational Source Coding☆14Nov 2, 2023Updated 2 years ago
- Streamlit web application to deploy a machine learning binary classifier to predict the activity of antimicrobial peptides☆10Dec 13, 2022Updated 3 years ago
- 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.
- PaiNN in jax☆11Jan 14, 2025Updated last year
- 1D Schroedinger solver in semiconductor with non-parabolicity☆11Nov 29, 2021Updated 4 years ago
- Script to facilitate the making of horizontal scripts☆17May 25, 2024Updated 2 years ago
- ☆12May 13, 2023Updated 3 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 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
- Gauge-including magnetically induced currents.☆34Dec 7, 2023Updated 2 years ago
- IPython magic for simple, organized, compressed and encrypted: storage & transfer of files between notebooks.☆13Apr 13, 2026Updated 5 months ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆18Apr 16, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A JupyterLab launcher extension to view the molecular orbitals.☆19Jul 25, 2026Updated last month
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 9 years ago
- Implements core functions for AiiDAlab.☆17Updated this week
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated 2 years ago
- Examples for the TB2J code☆23Oct 9, 2025Updated 11 months ago
- Automated reaction discovery and dataset generation with the growing string method☆23Feb 6, 2020Updated 6 years ago
- Source code and examples for searching structures using RANGE☆15Aug 26, 2026Updated 3 weeks 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
- JASCO file to text file converter☆17Apr 22, 2026Updated 5 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.
- Pseudopotential Studio☆22May 6, 2021Updated 5 years ago
- Simple tool to convert Agilent, Bruker and Varian FID files to sound.☆17May 6, 2020Updated 6 years ago
- Tutorial for "Advances in machine learning for molecules" (for Summer School for Machine Learning in Bioinformatics, https://cs.hse.ru/ss…☆21Aug 26, 2020Updated 6 years ago
- QE-GIPAW for Quantum-Espresso (official repository)☆40Jul 18, 2026Updated 2 months ago
- molecule design for fluorescence☆12Nov 22, 2021Updated 4 years ago
- A library to interface with STAN.☆17Nov 22, 2018Updated 7 years ago
- ChatGPT Chemistry Assistant☆89Aug 7, 2023Updated 3 years ago
- ☆10Nov 11, 2023Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- 2D molecule visualization component☆22Nov 2, 2016Updated 9 years ago
- ☆43Sep 14, 2026Updated last week
- ☆15Apr 30, 2025Updated last year
- 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
- Python toolkit for pre- and post-processing of FMO calculations☆17Jan 24, 2026Updated 8 months ago
- The November 2021 pre-conference workshops of re:Clojure☆14Dec 22, 2021Updated 4 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago