☆27Mar 26, 2026Updated 3 weeks ago
Alternatives and similar repositories for openbabel-wheel
Users that are interested in openbabel-wheel are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An example repository for creating a nomad distribution with custom plugins.☆12Updated this week
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆13Jun 27, 2025Updated 9 months ago
- ☆12Sep 9, 2020Updated 5 years ago
- Colorblind-friendly, perceptually uniform palettes for pymol☆21Jan 25, 2021Updated 5 years ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆13Feb 1, 2025Updated last year
- 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.
- A contract designed to maintain a default (and adjustable) ±30% position on the DAI/WETH pool on UniswapV3 with rebalancing features.☆10Jan 11, 2022Updated 4 years ago
- A general purpose library to study vibrational problems using diffusion monte carlo☆17Sep 26, 2024Updated last year
- Quantori Python SDK for PerkinElmer Signals Notebook☆13Feb 23, 2023Updated 3 years ago
- ☆23Mar 5, 2026Updated last month
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- SMILES reading benchmark☆16Aug 17, 2018Updated 7 years ago
- A simple project showing how currency exchange could be done☆11Mar 15, 2023Updated 3 years ago
- Python interface for the zeo++ package☆18Aug 15, 2025Updated 8 months ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 2 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.
- This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".☆12Sep 10, 2025Updated 7 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 5 months ago
- Tutorial notebooks and example scripts made with Tangelo. Any Tangelo user can suggest content and showcase their work, either by pushin…☆27May 1, 2025Updated 11 months ago
- A validating SMILES parser, with support for incomplete SMILES☆29Jan 14, 2025Updated last year
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- WiFi library for RP2040 Pico-W with the ESP8285 chip☆17Apr 9, 2026Updated last week
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Jan 12, 2021Updated 5 years ago
- Python client for TeraChem Cloud☆13Jun 19, 2025Updated 10 months ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A Fast Chemical Graph Generator☆94Mar 5, 2026Updated last month
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆18Dec 24, 2024Updated last year
- ☆21Oct 6, 2024Updated last year
- optking: A molecular geometry optimization program☆27Aug 22, 2025Updated 7 months ago
- ☆14Mar 6, 2024Updated 2 years ago
- A repository for contributed EasyConfig files that LUMI users can install at their own discretion or use as a starting base for their own…☆18Updated this week
- ☆60Jul 31, 2024Updated last year
- Gaussian-Processes Surrogate Optimisation in python☆18May 18, 2021Updated 4 years ago
- Automated discovery of reaction Mechanisms and Kinetics☆32Apr 3, 2026Updated 2 weeks 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.
- Python program for calculating 1D (i.e. planar) equilibrium semiconductor band diagrams☆13Jan 2, 2014Updated 12 years ago
- ☆12Jun 18, 2025Updated 10 months ago
- Python module for VPT2 calculations using Psi4 and QCEngine.☆18May 31, 2025Updated 10 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆108Jun 3, 2025Updated 10 months ago
- Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.☆13May 29, 2022Updated 3 years ago
- Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling.☆37Feb 3, 2026Updated 2 months ago
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago