A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
☆21Mar 5, 2023Updated 3 years ago
Alternatives and similar repositories for mol-draw
Users that are interested in mol-draw are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Store your chemical data in a single file!☆12May 7, 2025Updated last year
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆34Oct 21, 2024Updated last year
- An integrated web-based platform for molecular descriptor and fingerprint computation☆13Nov 9, 2016Updated 9 years ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- molecular mechanics optimisation☆18Aug 28, 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.
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Make better chemistry documentation!☆15Nov 20, 2024Updated last year
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- Quantum Chemistry Web Platform☆75Mar 20, 2026Updated last month
- Using quantum chemical computation to find important reactions without requiring human intuition.☆18May 9, 2018Updated 7 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- ☆12Aug 15, 2023Updated 2 years ago
- ☆20Dec 15, 2025Updated 4 months ago
- Open Computational Chemistry in C++☆28Apr 30, 2026Updated last week
- 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.
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆284Jan 4, 2026Updated 4 months ago
- Automated reaction discovery and dataset generation with the growing string method☆22Feb 6, 2020Updated 6 years ago
- Search/browse interface and APIs for the Open Reaction Database☆23Updated this week
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 3 years ago
- Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.☆23May 29, 2025Updated 11 months ago
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆16Dec 11, 2025Updated 4 months ago
- Electronegativity equilibration model for atomic partial charges☆24Mar 9, 2026Updated last month
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 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.
- 3D Molecular Viewer☆157Updated this week
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated last month
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- Draw molecules with plotly!☆54Mar 21, 2026Updated last month
- Demystify the undocumented Quantum ESPRESSO input/output☆12Jan 28, 2024Updated 2 years ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆188Apr 29, 2026Updated last week
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆33Jun 21, 2022Updated 3 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.
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆162Feb 7, 2026Updated 3 months ago
- Modular deep learning framework for chemical reactions☆69Jan 13, 2026Updated 3 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆38Apr 12, 2026Updated 3 weeks ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆24Apr 6, 2024Updated 2 years ago
- Predicting reaction performance using machine learning☆61Oct 3, 2020Updated 5 years ago
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Nov 13, 2022Updated 3 years ago
- VMD Audio/Text control with natural language☆19May 12, 2021Updated 4 years ago