A computer algebra system written in pure Python
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Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
🔩 Like builtins, but boltons. 250+ constructs, recipes, and snippets which extend (and rely on nothing but) the Python standard library. Nothing like Michael Bolton.
- python
- utilities
- cache
- data-structures
Astronomy and astrophysics core library
3D visualization and mesh analysis for science and engineering
- vtk
- python
- visualization
- 3d
Lightweight, general, scalable C++ library for finite element methods
- finite-elements
- high-order
- high-performance-computing
- parallel-computing
Computational Geometry Unity library with implementations of intersection algorithms, triangulations like delaunay, voronoi diagrams, polygon clipping, bezier curves, ear clipping, convex hulls, mesh simplification, etc
- unity3d
- computational-geometry
- voronoi
- intersections
Primary repository for the Trilinos Project
- snl-science-libs
- sandia-national-laboratories
- hpsf
- scientific-computing
Python+Numpy+OpenGL: fast, scalable and beautiful scientific visualization
Brian is a free, open source simulator for spiking neural networks.
- python
- neuroscience
- science
- differential-equations
Interactive network visualization in Python and Dash, powered by Cytoscape.js
- plotly-dash
- plotly
- dash
- cytoscape
FiPy is a Finite Volume PDE solver written in Python
- scientific-computing
- scientific-computing-with-python
- phase-field
- materials-science
skimpy is a light weight tool that provides summary statistics about variables in data frames within the console.
- eda
- pandas
- data-science
- exploratory-data-analysis
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
- ai-for-science
- diffusion-models
- drug-design
- equivariant-networks
Automated 3D cell detection in very large images
- microscopy
- cell-detection
- deep-learning
- image-analysis
PyTorch Connectomics: segmentation toolbox for EM connectomics
- computer-vision
- neuroscience
- connectomics
- pytorch
scPerturb: A resource and a python/R tool for single-cell perturbation data
- cite-seq
- database
- perturbation
- scatac-seq
A Python interface to access neuroanatomical atlases
- neuroscience
- python
- microscopy
- registration
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
Automated 3D brain registration with support for multiple species and atlases.
- registration
- atlases
- brain
- neuroscience
Data visualisation web components for the life sciences.
- biohackeu21
- bioinformatics
- visualization
- webcomponents
Inner ear models for Python
- python
- cochlea
- inner-ear
- model
CASSIA: A Multi-Agent LLM-Based Single-Cell Cell Type Annotation Framework
- ai4science
- llm
- multiagent-systems
- prompt-engineering