Evolutionary Monte Carlo algorithm for optimization in chemical space.
☆13Feb 9, 2026Updated 8 months ago
Alternatives and similar repositories for mosaics
Users that are interested in mosaics are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Markdown to LaTeX beamer slides☆10Oct 16, 2026Updated 2 weeks ago
- funsies is a lightweight workflow engine 🔧☆42Oct 2, 2021Updated 5 years ago
- Toolkit containing implementations of GPU-accelerated approximate kernel models and efficient atomic representations. Yields accurate mod…☆14May 16, 2024Updated 2 years ago
- A deep learning solvation model☆13Aug 24, 2021Updated 5 years ago
- Quantum machine learning (QML) molecular representations and core functions☆28Feb 21, 2026Updated 8 months ago
- 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.
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆20Aug 3, 2026Updated 3 months ago
- For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …☆22May 11, 2023Updated 3 years ago
- Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations☆77Oct 5, 2026Updated 3 weeks ago
- ☆11Jan 5, 2022Updated 4 years ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 3 years ago
- Formatter for pyproject.toml files☆14Oct 26, 2026Updated last week
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆14Nov 6, 2012Updated 13 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 4 years ago
- 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.
- ☆15Jan 30, 2022Updated 4 years ago
- A... M... L...☆54Feb 18, 2022Updated 4 years ago
- ☆14Sep 4, 2021Updated 5 years ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 3 years ago
- ✍️ A powerful tool designed to automatically generate a README.md file and suggest code improvements using LLMs.☆67May 24, 2024Updated 2 years ago
- ☆39Aug 11, 2023Updated 3 years ago
- ☆11Oct 2, 2026Updated last month
- Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with …☆17May 31, 2022Updated 4 years ago
- Documenting a subset of the SMILES language.☆13Jun 23, 2022Updated 4 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.
- Molecular inferring project developed by the Discrete Mathematics Lab at Kyoto University.☆10May 26, 2026Updated 5 months ago
- metallocage construction and binding affinity calculations☆18May 30, 2023Updated 3 years ago
- ☆13Oct 21, 2018Updated 8 years ago
- ☆12Sep 26, 2026Updated last month
- LoQI: Low Energy QM Informed Conformer Generation☆70Oct 10, 2026Updated 3 weeks ago
- Python implementation of an extension of the Kolmogorov-Smirnov test for multivariate samples☆13Aug 6, 2023Updated 3 years ago
- Getting started docs, examples, tutorials, and use cases.☆12Jun 15, 2021Updated 5 years ago
- Experimental small molecule hydration free energy dataset☆33Mar 29, 2022Updated 4 years ago
- ☆11Oct 1, 2025Updated 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.
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆56Apr 20, 2025Updated last year
- ☆15Nov 21, 2023Updated 2 years ago
- BARTSmiles, generative masked language model for molecular representations☆35Jan 9, 2024Updated 2 years ago
- Repository for Multitask Toxicity with Contrastive Explanation☆14Sep 18, 2025Updated last year
- 💳 ETL (Extract, Transform and Load) pipeline for calculating stats for a transactions database & testing the efficacy of a loyalty prog…☆10Apr 25, 2017Updated 9 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆56Updated this week
- you know what this is.☆16Updated this week