SommerKai

SommerKai's Stars

• coder/code-server

  VS Code in the browser

  Language:TypeScript68.5k7253.5k5.6k

• pola-rs/polars

  Dataframes powered by a multithreaded, vectorized query engine, written in Rust

  Language:Rust30.2k1679.1k2k

• OpenAPITools/openapi-generator

  OpenAPI Generator allows generation of API client libraries (SDK generation), server stubs, documentation and configuration automatically given an OpenAPI Spec (v2, v3)

  Language:Java21.8k2208.5k6.6k

• awsdocs/aws-doc-sdk-examples

  Welcome to the AWS Code Examples Repository. This repo contains code examples used in the AWS documentation, AWS SDK Developer Guides, and more. For more information, see the Readme.md file below.

  Language:Java9.6k2022.3k5.6k

• drivendataorg/cookiecutter-data-science

  A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.

  Language:Python8.3k1231742.5k

• pypa/hatch

  Modern, extensible Python project management

  Language:Python6k49774307

• pre-commit/pre-commit-hooks

  Some out-of-the-box hooks for pre-commit

  Language:Python5.3k44498707

• PyO3/maturin

  Build and publish crates with pyo3, cffi and uniffi bindings as well as rust binaries as python packages

  Language:Rust3.9k30628271

• airtai/faststream

  FastStream is a powerful and easy-to-use Python framework for building asynchronous services interacting with event streams such as Apache Kafka, RabbitMQ, NATS and Redis.

  Language:Python3.1k22644159

• gcorso/DiffDock

  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

  Language:Python1.1k18229263

• mims-harvard/TDC

  Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science

  Language:Jupyter Notebook1k27130174

• python-semantic-release/python-semantic-release

  Automating Releases via SemVer and Commit Message Conventions

  Language:Python8226533248

• mikepenz/release-changelog-builder-action

  A GitHub action that builds your release notes / changelog fast, easy and exactly the way you want.

  Language:TypeScript7188171103

• flekschas/jupyter-scatter

  Interactive 2D scatter plot widget for Jupyter Lab and Notebook. Scales to millions of points!

  Language:Python39085717

• choderalab/software-development

  A primer on software development best practices for computational chemistry

  263267579

• wjm41/molplotly

  add-on to plotly which show molecule images on mouseover!

  Language:Python24221925

• aws-samples/cookiecutter-aws-sam-python

  A Cookiecutter template to create a Serverless App based on Serverless Application Model (SAM) and Python 3.8

  Language:Python220162272

• cbouy/mols2grid

  Interactive molecule viewer for 2D structures

  Language:Python21563725

• MorganCThomas/MolScore

  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

  Language:Python14721224

• reymond-group/map4

  The MinHashed Atom Pair fingerprint of radius 2

  Language:CSS10772232

• joofio/py4chemoinformatics

  Python for chemoinformatics

  Language:Jupyter Notebook10612029

• healx/lig3dlens

  Language:Python50152

• Bayer-Group/COLID-Documentation

  The documentation repository is part of the Corporate Linked Data Catalog - short: COLID - application.

  Language:HTML431226

• jku-vds-lab/projection-space-explorer

  Language:Jupyter Notebook4161594

• TuomoKalliokoski/HASTEN

  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening

  Language:Python34441

• aws-samples/aws-serverless-batch-architecture

  Language:Python26717

• durrantlab/dimorphite_dl

  Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, accessible, and modular open-source program for enumerating small-molecule ionization states.

  Language:Python17216

• reymond-group/mapchiral

  Chiral version of the MinHashed Atom-Pair Fingerprint

  Language:Python16503

• VirtualFlow/VFU

  Streamlined version of VirtualFlow combining both VFVS and VFLP

  Language:Python16327

• tibdex/python-wheel-to-conda-package

  Convert a Pure-Python Wheel to a noarch Conda package

  Language:Python815