A gentle introduction to machine learning: data handling, linear regression, naive bayes, clustering
☆24Sep 6, 2019Updated 6 years ago
Alternatives and similar repositories for machine_learning
Users that are interested in machine_learning are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Scripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages☆22Jul 13, 2026Updated last month
- Lectures for the course "Scientific Programming in Python" at Osnabrück University☆52May 19, 2021Updated 5 years ago
- ☆22Sep 22, 2018Updated 7 years ago
- ☆17Jan 30, 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.
- ☆12Nov 3, 2019Updated 6 years ago
- Benchmark calculations with Quantum Espresso☆18Sep 25, 2024Updated last year
- This is the older version of our Python Package Development Workshop - Please see our updated materials -☆15May 21, 2020Updated 6 years ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Apr 9, 2021Updated 5 years ago
- ☆22Jul 23, 2026Updated last month
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 3, 2022Updated 3 years ago
- Machine Learning Tutorials & Fundamentals☆21Jul 6, 2019Updated 7 years ago
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- The mwtab package is a Python library that facilitates reading and writing files in mwTab format used by the Metabolomics Workbench for a…☆12Jul 28, 2026Updated last month
- 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.
- Open source graphical interface to various DFT/Quantum chemistry codes☆18Dec 8, 2022Updated 3 years ago
- ☆25Jul 17, 2021Updated 5 years ago
- A package for density functional approximation using machine learning.☆28Sep 18, 2020Updated 5 years ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆39Aug 10, 2026Updated 3 weeks ago
- Seagate-tools stores source codes of tools such as PerfPro, PerfLine, etc. These tools are developed and used by the Engineering team to …☆13May 3, 2024Updated 2 years ago
- Get access to our MD data files.☆34Nov 22, 2023Updated 2 years ago
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆37Apr 15, 2026Updated 4 months ago
- Seattle 911 Bokeh application☆11Jul 29, 2019Updated 7 years ago
- Chemical Structure Handling for Pandas DataFrames☆34Feb 6, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- The open source version of the NICE Desktop Cloud Visualization User Guide. You can provide feedback by submitting issues in this repo, o…☆10Jun 15, 2023Updated 3 years ago
- Documentation tool for pytest☆14May 10, 2022Updated 4 years ago
- The repository contains Jupyter notebooks for hands-on tutorials organized within the Summer School: Machine Learning for Quantum Physics…☆45Jun 11, 2025Updated last year
- Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)☆11Apr 29, 2022Updated 4 years ago
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Aug 16, 2022Updated 4 years ago
- MPI parallelization for PySCF☆37Nov 1, 2024Updated last year
- ☆13Apr 11, 2019Updated 7 years ago
- Useful tools written for Gaussian (an electronic structure program for computational chemistry)☆32Apr 20, 2017Updated 9 years ago
- An implementation of ARMCI using MPI one-sided communication (RMA)☆18Aug 5, 2026Updated 3 weeks ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ⨝ Mandatory Access Control for SQLite databases☆15Oct 11, 2016Updated 9 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Updated this week
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- A class for conversion between zmatrices and cartesian coordinates☆36May 5, 2020Updated 6 years ago
- blend molecules!☆44Oct 13, 2025Updated 10 months ago
- ☆11Apr 22, 2024Updated 2 years ago
- Converter from Swagger JSON to Markdown☆12May 11, 2019Updated 7 years ago