☆17Apr 4, 2020Updated 6 years ago
Alternatives and similar repositories for Tutorials
Users that are interested in Tutorials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Oct 1, 2026Updated last week
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Aug 24, 2016Updated 10 years ago
- ☆24May 8, 2019Updated 7 years ago
- Codes for femtosecond laser interaction research☆13Aug 10, 2026Updated 2 months ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆14Jul 14, 2021Updated 5 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.
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- peak detection code for gas chromatography data☆19Apr 9, 2019Updated 7 years ago
- Simple modular python package for physical reservoir computing. Use your own experimental data.☆14Oct 25, 2024Updated last year
- Richard Skelton's code for dislocations☆12Jan 23, 2019Updated 7 years ago
- Some C++ code for basic Molecular Dynamics simulations.☆12Sep 12, 2018Updated 8 years ago
- Calculate position-dependent diffusivity functions from trajectory data (usually from molecular dynamics). The approach is described in h…☆11Mar 25, 2025Updated last year
- Files used in tutorials☆47Apr 26, 2020Updated 6 years ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆30Aug 25, 2026Updated last month
- ☆20Jan 31, 2021Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 6 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Apr 17, 2021Updated 5 years ago
- Protonate Your SMILES! Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆13Mar 13, 2022Updated 4 years ago
- 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
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year
- A fully automated approach to determine the melting temperature of crystalline materials☆22Sep 21, 2026Updated 2 weeks ago
- AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations☆17Jul 1, 2026Updated 3 months ago
- This repo contains the collection of codes to find designer interfacial mutations☆17Sep 4, 2023Updated 3 years ago
- Molecular dynamics simulations in Python and Cython. Simulates Lennard-Jones particles in the NVE ensemble using the Verlet method and hi…☆12Jun 2, 2015Updated 11 years ago
- 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.
- ☆14Feb 28, 2022Updated 4 years ago
- VSCODE extension for language support of LAMMPS scripts☆58Oct 2, 2026Updated last week
- AI4Chem is a code to test the ability of large language models (ChatGPT) to comprehend Chemistry.☆25Aug 5, 2025Updated last year
- A Django + PyPDF2 application extracting PDF pages, merging and replacing PDF files online.☆18Nov 13, 2018Updated 7 years ago
- Animating factor graphs using manim, networkx and manimnx. Blog post: https://rajatvd.github.io/Factor-Graphs/☆15Oct 21, 2019Updated 6 years ago
- Theory Infused Neural Network☆11Sep 26, 2026Updated 2 weeks ago
- ☆22Apr 20, 2025Updated last year
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 3 years ago
- ☆22Feb 16, 2024Updated 2 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.
- Examples on how to use manim☆11Apr 20, 2021Updated 5 years ago
- Python package for analyzing and representing droplets and emulsions☆13Sep 24, 2026Updated 2 weeks ago
- Data and model repository for the ASKCOS application☆16Feb 24, 2022Updated 4 years ago
- ☆15Sep 22, 2026Updated 2 weeks ago
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆22Jul 6, 2026Updated 3 months ago
- Benchmark AFLOW Data Sets for Machine Learning doi.org/10.1007/s40192-020-00174-4☆11Aug 29, 2020Updated 6 years ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 6 months ago