☆14Apr 17, 2021Updated 5 years ago
Alternatives and similar repositories for mysklearn
Users that are interested in mysklearn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- eMetabolomics project: Mass Annotation based on in silico Generated Metabolites☆17Oct 30, 2022Updated 3 years ago
- Graph Convolutional Network tools for life science☆11Nov 20, 2020Updated 5 years ago
- 「機械学習による分子最適化」のサポートページ☆14Jan 31, 2024Updated 2 years ago
- Molecular Visualization powered by Plotly☆18Aug 28, 2022Updated 4 years ago
- Deep-Learning-Based Multivariate Curve Resolution☆14Oct 14, 2021Updated 4 years 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.
- ☆13Sep 8, 2025Updated 11 months ago
- Implement mean shift cluster from numpy + sklearn + GPU-pytorch☆10Apr 7, 2026Updated 4 months ago
- ☆45Jul 30, 2026Updated last month
- ☆15Oct 12, 2019Updated 6 years ago
- Graph Neural Networks☆21Nov 18, 2022Updated 3 years ago
- A repository for physico-chemical data extracted from the NIST Chemistry WebBook☆19May 20, 2026Updated 3 months ago
- 『Pythonで動かしてはじめる量子化学計算』（コロナ社，2024）☆25Jun 5, 2024Updated 2 years ago
- CNN model based on Google Inception model to predict regression values of regression values of Tetrahymena pyriformis IGC50 from 2D imag…☆20Nov 14, 2018Updated 7 years ago
- ☆20Mar 24, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Software for the analysis and interactive exploration of spectral imaging data☆33Aug 25, 2020Updated 6 years ago
- Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".☆31Apr 11, 2023Updated 3 years ago
- IUPAC SMILES+ Specification☆42Dec 12, 2023Updated 2 years ago
- A cross-platform application for visualization of molecular databases.☆33Mar 5, 2023Updated 3 years ago
- Internal Coordinate Analysis of Vibrational Modes from QM Calculations.☆30Jul 12, 2026Updated last month
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆35Feb 22, 2024Updated 2 years ago
- (Multiblock) Partial Least Squares Regression for Python☆33Jan 14, 2020Updated 6 years ago
- Implementation of PLS-DA and OPLS-DA for high dimensional data, like MS in metabolomics.☆35Jun 30, 2025Updated last year
- Proof of the concept implementation of smiles2vec paper☆34Apr 17, 2019Updated 7 years 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.
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years ago
- 『先輩データサイエンティストからの指南書』（技術評論社）のサンプルリポジトリ☆39Aug 14, 2025Updated last year
- [Nat. Comm. 2024] Multimodal learning for chemical domain, with SMILES and properties.☆43Jan 13, 2025Updated last year
- Draw molecules with plotly!☆56Mar 21, 2026Updated 5 months ago
- ☆45Aug 28, 2022Updated 4 years ago
- Course material for an undergraduate quantum chemistry lab class☆56Aug 28, 2024Updated 2 years ago
- ☆51Nov 1, 2020Updated 5 years ago
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 7 years ago
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆79Sep 11, 2021Updated 4 years ago
- 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.
- 🧪 A comprehensive chemistry library for Python.☆65Jan 11, 2023Updated 3 years ago
- VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectros…☆66Updated this week
- Large Multi-Modal Chem-Informatics dataset of 7B+ molecules with fingerprints and 3D conformers for drug discovery☆110Updated this week
- A python module for generating interactive views of chemical spaces.☆77Feb 19, 2023Updated 3 years ago
- Unofficial Python tools for querying NIST Chemistry WebBook pages and extracting molecular-property records.☆57May 20, 2026Updated 3 months ago
- A Python 3 implementation of orthogonal projection to latent structures☆65Feb 22, 2024Updated 2 years ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆95Jun 26, 2026Updated 2 months ago