⚗ A package useful for chemistry written in Python
- chemistry
- physical-chemistry
- chemical-kinetics
- chemical-formulas
Repository Index
56,139 visible repositories in the index
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Numerical linear algebra software package
- linear-algebra
- hpc
- gpu-computing
- cuda
Module for statistical learning, with a particular emphasis on time-dependent modelling
- machine-learning
- python
- point-process
- optimization
Simulate Functional Mock-up Units (FMUs) in Python
- fmi
- python
- fmi-standard
ACADO Toolkit is a software environment and algorithm collection for automatic control and dynamic optimization. It provides a general framework for using a great variety of algorithms for direct optimal control, including model predictive control, state and parameter estimation and robust optimization.
A pure JavaScript medical research image viewer.
A Python platform to perform parallel computations of optimisation tasks (global and local) via the asynchronous generalized island model.
- optimization
- optimization-algorithms
- optimization-methods
- optimization-problem
Vision-Language Pathology Foundation Model - Nature Medicine
- bioimage-analysis
- bioimage-informatics
- conch
- foundation-model
Benchmarks for generative chemistry
U-Net Brain Tumor Segmentation
- tensorflow
- tensorlayer
- unet
- medical-imaging
Dicoogle - Open Source PACS
- dicoogle
- dicom
- pacs
- medical-imaging
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.
- histopathology-images
- microscopy
- sliding-windows
- medical-image-analysis
A tool for semi-automatic cell type classification
- python
- single-cell
- machine-learning
- scrna-seq
A Python native dynamical system simulation framework in the block diagram paradigm.
- blockdiagram
- control-systems
- hierarchical-modeling
- nonlinear-dynamics
RNA Velocity generalized through dynamical modeling
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.
- arithmetic
- integer-arithmetic
- fixed-point-arithmetic
- rational-arithmetic
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
- huggingface
- bert
- chemical-modelling
- chemical-smiles-data
a molecular descriptor calculator
A Practical and Efficient NCBI Taxonomy Toolkit, also supports creating NCBI-style taxdump files for custom taxonomies like GTDB/ICTV
- bioinformatics
- taxonomy
- cross-platform
- lineage
Sequential regulatory activity predictions with deep convolutional neural networks.
Advanced date, time and interval library for Java with sun/moon-astronomy and calendars like Chinese, Coptic, Ethiopian, French Republican, Hebrew, Hijri, Historic Christian, Indian National, Japanese, Julian, Korean, Minguo, Persian, Thai, Vietnamese
- java
- time4j
- calendar
- interval
Tools for computational pathology
- machine-learning
- digital-pathology
- computational-pathology
- biomedical-image-processing
The fastest automatic differentiation library for C++, with Python bindings. Forward, adjoint and higher-order derivatives, checkpointing, Eigen support and JIT. Reproducible benchmarks against CppAD, Adept and autodiff.
- automatic-differentiation
- aad
- algorithmic-differentiation
- autodiff
Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T grid points on 43K+ GPUs
- gpu
- exascale
- cfd
- fortran