Starred repositories
Semiempirical Extended Tight-Binding Program Package
CREST - A program for the automated exploration of low-energy molecular chemical space.
A Slurm cluster using docker-compose
Constava analyzes conformational ensembles calculating conformational state propensities and conformational state variability.
Python 3.8+ toolbox for submitting jobs to Slurm
Up-scale python functions for high-performance computing (HPC)
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
core services for the Flux resource management framework
Parse NCBI CD-search results to find and visualise the domain architecture of secondary metabolite synthases
MUNGE (MUNGE Uid 'N' Gid Emporium) is an authentication service for creating and validating user credentials.
Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
Python bindings generator for flux-core
High-Resolution, Large Field-of-View, and Multi-ViewSingle Objective Light-Sheet Microscopy
ZAF(Zebrafish Automated Feeder): Software needed for automated fish feeding system of our fish facility
MDANCE: Hyper-efficient tools to process molecular dynamics simulations.
aria2 is a lightweight multi-protocol & multi-source, cross platform download utility operated in command-line. It supports HTTP/HTTPS, FTP, SFTP, BitTorrent and Metalink.
Simple, safe way to store and distribute tensors
Making Protein folding accessible to all!
Pretrain, finetune ANY AI model of ANY size on 1 or 10,000+ GPUs with zero code changes.
Toward High-Accuracy Open-Source Biomolecular Structure Prediction.