Stars
Pandas-like, performant dataframes library for data science
Simple DataFrame library for D programming language
Interactive data analysis and visualisation with chemical intelligence
CAI NEURAL API - Pascal based deep learning neural network API optimized for AVX, AVX2 and AVX512 instruction sets plus OpenCL capable devices including AMD, Intel and NVIDIA.
scikit-learn classes for molecular vectorization using RDKit
C# bindings for raylib, a simple and easy-to-use library to learn videogames programming
Message Passing Neural Networks for Molecule Property Prediction
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) ca…
Python package for processing image-based profiling data
Simple RDKit molecule editor GUI using PySide
Advent of Code solutions in Crystal
Implementation of Brians Brain in Crystal Lang
Advent of code 2024 moved to Codeberg
A game theoretic approach to explain the output of any machine learning model.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Zero Dependency, Zero Overhead, Zero Reflection, Zero Allocation, AOT Safe CLI Framework powered by C# Source Generator.
Making it easy to write shell-like scripts in Go
An F# extension and module library for ResizeArray<'T>
The F# compiler, F# core library, F# language service, and F# tooling integration for Visual Studio
add-on to plotly which show molecule images on mouseover!
A Python package for processing molecules with RDKit in scikit-learn