Scripts to automate package builds on RC Platforms
☆41Mar 19, 2026Updated last week
Alternatives and similar repositories for rcps-buildscripts
Users that are interested in rcps-buildscripts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Module files for the Research Computing OS (Legion, Aristotle etc.)☆15Mar 5, 2026Updated 3 weeks ago
- Environment modules for the ILRI, Nairobi HPC cluster☆11Mar 12, 2026Updated 2 weeks ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Dec 4, 2023Updated 2 years ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Experimental Research Computing documentation generation using mkdocs☆37Mar 19, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Plugin to UCSF Chimera for segmenting Cryo-EM density maps☆11Dec 18, 2024Updated last year
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆19Aug 19, 2024Updated last year
- DFT post processing tools☆26Jul 24, 2024Updated last year
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Files for the Kubecon EU 2025 Tutorial - Hacking up a Storm☆14Apr 4, 2025Updated 11 months ago
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- Virtual screening approach for fragments selection and merging to lead-like compounds☆13Aug 20, 2021Updated 4 years ago
- Collected scripts for Pymol☆10Mar 18, 2015Updated 11 years ago
- A quick way of spawning many batch jobs☆14Oct 24, 2022Updated 3 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆11Oct 23, 2025Updated 5 months ago
- Manages Git identities, including SSH keys☆11Aug 24, 2023Updated 2 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 years ago
- research the 2019-nCov and design the inhibitors with AI☆14Jun 6, 2022Updated 3 years ago
- RollingGantryCrane pulls and converts containers to LMOD modules☆12Oct 25, 2021Updated 4 years ago
- This repository contains HPC application best practices, specifically designed and optimized to run on AWS.☆19Updated this week
- Spank Tunnels☆12Dec 1, 2015Updated 10 years ago
- A quick and dirty rest interface to the slurm api and commands.☆12Nov 8, 2017Updated 8 years ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆58Updated this week
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A repository hosting materials used during Wannier-related tutorials and schools☆45Jun 9, 2024Updated last year
- Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These sc…☆23Nov 29, 2013Updated 12 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆45Feb 24, 2025Updated last year
- A project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.☆18Feb 2, 2017Updated 9 years ago
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well☆17Sep 16, 2018Updated 7 years ago
- A library of Python modules for reading/writing and manipulating data associated with the wannier90 code☆14Mar 30, 2021Updated 4 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆46Aug 30, 2020Updated 5 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Manager for first-principles calculations☆18Feb 16, 2026Updated last month
- A... M... L...☆52Feb 18, 2022Updated 4 years ago
- Tool(s) for cleaning, munging and analysing PDB files for structural bioinformatics analysis.☆14May 29, 2019Updated 6 years ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Aug 27, 2018Updated 7 years ago
- Simulation code for the prediction of RNA structures.☆13Jan 21, 2025Updated last year
- ☆16May 11, 2016Updated 9 years ago
- ☆17Jan 2, 2021Updated 5 years ago