hainm's Stars
mingrammer/diagrams
:art: Diagram as Code for prototyping cloud system architectures
vlang/v
Simple, fast, safe, compiled language for developing maintainable software. Compiles itself in <1s with zero library dependencies. Supports automatic C => V translation. https://vlang.io
pydantic/pydantic
Data validation using Python type hints
hashicorp/nomad
Nomad is an easy-to-use, flexible, and performant workload orchestrator that can deploy a mix of microservice, batch, containerized, and non-containerized applications. Nomad is easy to operate and scale and has native Consul and Vault integrations.
mamba-org/mamba
The Fast Cross-Platform Package Manager
mwouts/jupytext
Jupyter Notebooks as Markdown Documents, Julia, Python or R scripts
readthedocs/sphinx_rtd_theme
Sphinx theme from Read the Docs
jettify/pytorch-optimizer
torch-optimizer -- collection of optimizers for Pytorch
JuliaLang/IJulia.jl
Julia kernel for Jupyter
serge-sans-paille/pythran
Ahead of Time compiler for numeric kernels
NVIDIA/stdexec
`std::execution`, the proposed C++ framework for asynchronous and parallel programming.
volkamerlab/teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
microsoft/gather
Spit shine for Jupyter notebooks 🧽✨
MarcusOlivecrona/REINVENT
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
usnistgov/jarvis
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY
csurfer/blackcellmagic
IPython magic command to format python code in cell using black.
salesforce/provis
Official code repository of "BERTology Meets Biology: Interpreting Attention in Protein Language Models."
widgetti/reacton
A pure Python port of React for ipywidgets
partridgejiang/Kekule.js
A Javascript cheminformatics toolkit.
ismms-himc/clustergrammer2
"Dimensionality-increasing" data visualization tool and interactive WebGL Jupyter widget built for single-cell data.
MCompChem/fep-benchmark
Benchmark set for relative free energy calculations.
yuvipanda/simplest-notebook
A Jupyter Notebook frontend with simplest possible UI
cbouy/DashMD
Real time monitoring and visualization of Amber MD simulations
maartenbreddels/gde-examples
Gaia Discovery Engine examples
jbloomlab/pdb_prot_align
Align proteins to chains in PDB structures
cando-developers/cando-demos
jRicciL/ERK2_notebooks
jRicciL/MD_namd_python
Molecular Dynamics with namd2 and python
conda-forge/meld-feedstock
A conda-smithy repository for meld.
hlvlad/onquadro-3d-demo