Cookiecutter for setting up python projects with uv that just work
☆29Aug 5, 2026Updated this week
Alternatives and similar repositories for uv-cookiecutter
Users that are interested in uv-cookiecutter are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Batched optimisation algorithms for neural network potential driven molecular dynamics.☆17Nov 27, 2025Updated 8 months ago
- ☆83Updated this week
- Selection language for RDKit☆17Mar 20, 2026Updated 4 months ago
- Stable AutoCorrelation Integral Estimator☆17May 18, 2026Updated 2 months ago
- python API for rowan☆21Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- PROTAC-Splitter is a machine learning framework designed for automated annotation of PROTAC substructures.☆29Jul 20, 2026Updated 2 weeks ago
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated 2 years ago
- End-to-end ML workflow based on the talk I gave in CHE596.☆12Jul 26, 2024Updated 2 years ago
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years ago
- Quantum-mechanical molecular representations☆31Jun 19, 2026Updated last month
- 2025 RDKit UGM☆30Oct 27, 2025Updated 9 months ago
- ☆14Sep 18, 2023Updated 2 years ago
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆17Jun 5, 2026Updated 2 months ago
- Cookiecutter for setting up python projects with pixi that just work☆36Updated this week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics☆18Aug 14, 2024Updated last year
- ☆17Jul 7, 2024Updated 2 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- Development versions of the g-xTB method. Final implementation will not happen here but in tblite (https://github.com/tblite/tblite).☆201May 14, 2026Updated 2 months ago
- Atomistic machine learning models you can use everywhere for everything☆47Updated this week
- Python package for the creation of publication-quality reaction energy diagrams with Matplotlib.☆89Jul 11, 2026Updated 3 weeks ago
- ☆18Feb 26, 2026Updated 5 months ago
- ☆22May 7, 2025Updated last year
- Schrödinger Sketcher☆38Updated this week
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A collection of functions compatible with the Opentrons API☆10Oct 28, 2022Updated 3 years ago
- This package will help you perform a multiple minumum Monte Carlo conformer search as described in Chang et al., 1989. It is built to be …☆37Apr 23, 2026Updated 3 months ago
- An efficient and fully parallelized pure python DFT and electronic structure code with GPU acceleration through just-in-time compilation☆69Updated this week
- Structural analysis tools for OpenFE free energy calculations, built on MDAnalysis.☆20Updated this week
- Deep learning for compound price prediction☆19Aug 22, 2024Updated last year
- Nested Sampling code☆37May 11, 2026Updated 2 months ago
- ☆19Feb 27, 2026Updated 5 months ago
- ☆27May 15, 2019Updated 7 years ago
- Generate Simple Pharmacophore Models with RDKit☆49Mar 10, 2026Updated 4 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.
- ☆22Jun 22, 2026Updated last month
- ☆20Updated this week
- A python package for performing GROMACS simulation ensembles☆22Jul 12, 2026Updated 3 weeks ago
- Pymatgen Core☆24Updated this week
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆25Jun 23, 2022Updated 4 years ago
- cinema toolkit for large data analysis and visualization☆14Sep 14, 2022Updated 3 years ago
- A RL framework for Crystal Structure Generation using GRPO☆66May 14, 2026Updated 2 months ago