High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/
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Updated
Oct 9, 2024 - Python
High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/
A Framework for IMS-MS Raw Data Processing written in Rust and Python.
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Running large language models on a single GPU for throughput-oriented scenarios.
🏮 Parsing and analysing platereader absorbance and fluorescence data.
atomate2 is a library of computational materials science workflows
An Intuitive, Lightweight, High Performance Full Stack Java Web Framework.
AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
The Zavolab Automated RNA-seq Pipeline
A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning interatomic potentials
A userspace workflow management tool for harnessing non-dedicated resources for high-throughput workloads.
Implementation of cheap Monte Carlo optimisation of bonds in molecules
A Java low latency pub/sub framework using multicast, one-to-many with reliable delivery
An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.
A fast and easy-to-use Remote sensing Image format COnverter for High-throughput Deep-Learning (rico-hdl).
A user-friendly command-line interface for the ZARP RNA-seq analysis workflow
An interactive Python script that generates chemical compositional features and provides tools for filtering, sorting, and merging data.
A Simple Way of Creating Job Workflows in Go running in Processes, Containers, Tasks, Pods, or Jobs
Multiplexed data-independent acquisition (plexDIA) for increasing proteomics throughput. The code is distributed by an MIT license.
Post-processing toolkit for electronic structure calculations
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