☆23May 1, 2023Updated 3 years ago
Alternatives and similar repositories for ML-CSC-tutorial
Users that are interested in ML-CSC-tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SOAP (Smooth Overlap of Atomic Positions) implementation with numpy☆11May 11, 2018Updated 8 years ago
- A Python package to compute similarities between molecules and structures☆32Aug 13, 2020Updated 5 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆464Apr 18, 2026Updated last month
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 5 years ago
- ☆14Jul 13, 2022Updated 3 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.
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 22, 2026Updated last month
- General purpose tools for high-throughput catalysis☆104May 20, 2025Updated last year
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 2 months ago
- Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.☆45Aug 13, 2019Updated 6 years ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆21Updated this week
- Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT☆40Jul 29, 2024Updated last year
- Flask backend for the Pitt Quantum Repository website☆16Apr 16, 2023Updated 3 years ago
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Nov 29, 2020Updated 5 years ago
- Repository with content of BIASlab website for Hugo static site generator.☆13Nov 24, 2025Updated 5 months 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.
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆29May 1, 2021Updated 5 years ago
- Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions☆71Sep 17, 2019Updated 6 years ago
- Python Virtual Atomic Force Microscope☆13May 27, 2021Updated 4 years ago
- K-means clustering☆22Sep 7, 2021Updated 4 years ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Nov 13, 2024Updated last year
- ☆12May 10, 2024Updated 2 years ago
- ☆23Jul 23, 2019Updated 6 years ago
- Mixed Martial Arts: Interfacing Fortran, C, C++, and Python for Great Good!☆10Dec 27, 2017Updated 8 years ago
- Toyota Research Institute X-ray Spectroscopy. Tools for machine learning of XANES.☆12Jan 31, 2022Updated 4 years ago
- 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.
- Julia package for the tight binding approximation of quantum lattice systems.☆23Mar 25, 2026Updated last month
- CHE 599 at Oregon State University☆21Dec 4, 2020Updated 5 years ago
- ☆12Apr 16, 2018Updated 8 years ago
- A one-stop-shop for handling data in computational spectroscopy☆18Jan 26, 2026Updated 3 months ago
- ☆17Sep 17, 2025Updated 8 months ago
- Molecular Dynamics Simulation of Alanine Dipeptide and Dihedral Angle Analysis☆20Jan 2, 2024Updated 2 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆97Updated this week
- ☆17Jan 2, 2021Updated 5 years ago
- The Materials Project Workshop Curriculum☆120Mar 1, 2023Updated 3 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.
- Python library to determine the point group of molecular geometries☆14May 22, 2025Updated 11 months ago
- ☆17Mar 3, 2023Updated 3 years ago
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Feb 15, 2019Updated 7 years ago
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆22Jan 21, 2021Updated 5 years ago
- ☆14Mar 18, 2025Updated last year
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Jul 11, 2020Updated 5 years ago
- This is a new version of Learning Active Learning which uses reinforcement learning☆13May 17, 2022Updated 4 years ago