Materials for the ML schools at IISC 2025
☆15Jan 18, 2025Updated last year
Alternatives and similar repositories for iisc-ml-school
Users that are interested in iisc-ml-school are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This repository contains the lecture notes, slides and hands-on notebooks prepared for a semester-long course on "Introduction to machine…☆11Nov 27, 2025Updated 8 months ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆15Apr 18, 2023Updated 3 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Jul 18, 2026Updated last week
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- Tool for finding atomic environments in crystal structures☆23Mar 6, 2026Updated 4 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.
- A mini-course offered to Undergrad chemistry students☆21Dec 30, 2021Updated 4 years ago
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- Generate isosurface from density data☆14May 21, 2026Updated 2 months ago
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆12May 7, 2025Updated last year
- Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics☆15Nov 3, 2021Updated 4 years ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 years ago
- ☆14Oct 20, 2022Updated 3 years ago
- OpenFOAm with HDF5. Version developed at OeRC, Dept Engineering Science, University of Oxford☆10Feb 28, 2018Updated 8 years ago
- ☆29Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- A series of jupyter notebooks to help chemistry students learn python for analytical chemistry☆54Oct 22, 2025Updated 9 months ago
- Finite-size corrections of defect energy levels involving ionic polarization☆11Oct 20, 2022Updated 3 years ago
- Lecture materials for: Ab initio methods in solid state physics.☆29Jan 4, 2026Updated 6 months ago
- ML potentials via transfer learning☆30Updated this week
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jul 16, 2026Updated last week
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Script for generating the Many Body Distribution Functionals and Density of Functionals representations☆14Jan 28, 2025Updated last year
- Grand canonical optimization of grain boundary phases.☆33Jul 6, 2026Updated 3 weeks 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.
- Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Oct 1, 2020Updated 5 years ago
- ppt workflow for antigravity☆15Nov 25, 2025Updated 8 months ago
- A graphical user interface for LobsterPy☆20Nov 8, 2025Updated 8 months ago
- Auto login script for IITK's firewall authentication (gateway or captive portal) page.☆16Jul 15, 2026Updated last week
- TDEP Tutorials☆38Jun 1, 2025Updated last year
- Material Property Charts☆17Mar 27, 2022Updated 4 years ago
- C++ stuff for OpenFoamers YouTube☆14Jun 28, 2021Updated 5 years ago
- A LOBSTER's postprocessor that can automatically plot the output from Local-Orbital Basis Suite Towards Electronic-Structure Reconstructi…☆15Sep 23, 2025Updated 10 months ago
- Quantum machine learning (QML) molecular representations and core functions☆25Feb 21, 2026Updated 5 months 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.
- OpenFOAM solver for additive manufacturing including thermo-elastic-plastic stress analysis.☆26Jun 22, 2019Updated 7 years ago
- ☆20Nov 3, 2025Updated 8 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆22Jun 6, 2024Updated 2 years ago
- C++ wrapper of gsl non-linear least-squares fit.☆17Jan 12, 2021Updated 5 years ago
- python workflow for GW-BSE calculation☆32Jun 16, 2023Updated 3 years ago
- A friendly, hands-on introductory course☆22Dec 4, 2025Updated 7 months ago