materials for CCP5 summer school
☆17Jul 22, 2026Updated 3 months ago
Alternatives and similar repositories for CCP5SummerSchool
Users that are interested in CCP5SummerSchool are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆23Jul 29, 2026Updated 2 months ago
- This is an active learning framework that uses single-ended growing string method and neural networks to build machine learning forcefiel…☆14Sep 5, 2025Updated last year
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆25Oct 2, 2024Updated 2 years ago
- Thermodynamics-informed symbolic regression☆15Jan 11, 2026Updated 9 months ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆15Updated this week
- 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.
- PoGo is a proteogenomic tool which allows mapping of peptides identified through mass spectrometry to a reference genome through provided…☆13Jul 8, 2021Updated 5 years ago
- Code for reviewers☆12Oct 8, 2024Updated 2 years ago
- A demo code for implementation of differentiable thermodynamic modeling in JAX.☆11Sep 18, 2021Updated 5 years ago
- Interactive command-line pre/post-processing copilot for the ABACUS DFT software (GPL-3.0)☆40Oct 1, 2026Updated 3 weeks ago
- ☆14Jan 10, 2023Updated 3 years ago
- ☆13Sep 15, 2026Updated last month
- ☆20Updated this week
- Data, in citable form, produced by the Coudert research group☆47Updated this week
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 4 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.
- Molecular dynamics simulation skills for AI agents☆17Oct 1, 2026Updated 3 weeks ago
- ☆12Oct 9, 2024Updated 2 years ago
- Automatically prepare structures from the PDB for molecular dynamics simulation☆14Updated this week
- RMSX and Flipbook Package: Time series RMSF combing the features of RMSD and RMSF☆40Jul 20, 2026Updated 3 months ago
- DL models to test added value of using generated complex data for affinity prediction☆11Mar 21, 2026Updated 7 months ago
- Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling☆43May 1, 2023Updated 3 years ago
- Export orders from Shopify into a CSV file☆10Dec 31, 2014Updated 11 years ago
- This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCA…☆14Jun 30, 2025Updated last year
- Thermodynamic databases for use with the Theriak-Domino suite of programs☆14Jun 6, 2025Updated last year
- 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.
- Formula of Machine Learning☆14Sep 2, 2018Updated 8 years ago
- Process the results of your StagYY runs☆16Jul 2, 2026Updated 3 months ago
- Python application for finding apo and holo structures for user-defined protein-ligand interactions☆10Feb 7, 2023Updated 3 years ago
- GitHub for AI4PD 2023 Workshop in Chile☆12Oct 12, 2023Updated 3 years ago
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆14Jul 29, 2022Updated 4 years ago
- Legacy repository of the FREZCHEM code developed by Giles Marion (Desert Research Institute) et al., since the frezchem.dri.edu page is n…☆14Oct 14, 2021Updated 5 years ago
- Scripts to calculate elastic properties from a set of strained structures☆22Jul 3, 2024Updated 2 years ago
- Chemical Engineering at UP LaTeX templates☆10Sep 12, 2021Updated 5 years ago
- ☆52Jun 15, 2020Updated 6 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.
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆17Oct 12, 2026Updated last week
- Development of DFT-trained machine-learning interatomic potentials for lithium niobate, with applications to large-scale MD simulations i…☆15Jul 23, 2026Updated 3 months ago
- Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification☆10Sep 24, 2026Updated last month
- ☆16Dec 17, 2024Updated last year
- CGCNN for inorganic solid materials☆13Sep 7, 2025Updated last year
- The program supports VASP POSCAR format as input or output. Using Surfkit you can get an output POSCAR file of crystal slab, twisted b…☆13Dec 5, 2023Updated 2 years ago
- A complete software environment for modeling and simulating materials, tailored for a MOF chemist☆52Updated this week