Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
47,133 repositories indexed
25–48 of 126 · Most stars
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
Fellow Oak DICOM for .NET, .NET Core, Universal Windows, Android, iOS, Mono and Unity
TorchXRayVision: A library of chest X-ray datasets and models. Classifiers, segmentation, and autoencoders.
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
🦖 ClawBio - The first bioinformatics-native AI agent skill library. Local-first. Reproducible. Open. Free.
Scientific workflow engine designed for simplicity & scalability. Trivially transition between one off use cases to massive scale production environments
a lean linear math library, aimed at graphics programming. Supports vec3, vec4, mat4x4 and quaternions
ADAM is a genomics analysis platform with specialized file formats built using Apache Avro, Apache Spark, and Apache Parquet. Apache 2 licensed.
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
2D/3D geometry toolkit for Clojure/Clojurescript
C library for high-throughput sequencing data formats
Throw in the towel.
libMesh github repository
RBDL is a C++ library that contains some essential and efficient rigid body dynamics algorithms such as the Articulated Body Algorithm (ABA) for forward dynamics, Recursive Newton-Euler Algorithm (RNEA) for inverse dynamics, the Composite Rigid Body Algorithm (CRBA) for the efficient computation of the joint space inertia matrix and is also able to compute forward dynamics with external contact constraints and collision impulses. Furthermore it has some basic support for forward and inverse kinematics.
:1234: Bits, bytes and general-purpose calculator
Generation of protein sequences and evolutionary alignments via discrete diffusion models
Simulate Functional Mock-up Units (FMUs) in Python
R package for detecting doublets in single-cell RNA sequencing data
A unit handling library for ruby
Code for the Nature Scientific Reports paper "Pathologist-level classification of histologic patterns on resected lung adenocarcinoma slides with deep neural networks." A sliding window framework for classification of high resolution whole-slide images, often microscopy or histopathology images.
Large collection of number systems providing custom arithmetic for mixed-precision algorithm development and optimization for AI, Machine Learning, Computer Vision, Signal Processing, CAE, EDA, control, optimization, estimation, and approximation.
SCENIC is an R package to infer Gene Regulatory Networks and cell types from single-cell RNA-seq data.
A Practical and Efficient NCBI Taxonomy Toolkit, also supports creating NCBI-style taxdump files for custom taxonomies like GTDB/ICTV