Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
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A computer algebra system written in pure Python
Efficiently computes derivatives of NumPy code.
- autograd
- automatic-differentiation
- numpy
- python
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
Official git repository for Biopython (originally converted from CVS)
- python
- bioinformatics
- genomics
- biopython
Python framework for creating, editing, and running Noisy Intermediate-Scale Quantum (NISQ) circuits.
- nisq
- quantum-algorithms
- quantum-computing
- cirq
PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.
POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
- adaptive-learning
- machine-learning
- python
- live-plots
🦖 ClawBio - The first bioinformatics-native AI agent skill library. Local-first. Reproducible. Open. Free.
Cloud-native genomic dataframes and batch computing
- genetics
- vcf
- genomics
- gwas
:spider_web: Gmsh for Python
- python
- pypi
- mesh-generation
- engineering
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
In-memory nucleotide sequence k-mer counting, filtering, graph traversal and more
- dna
- k-mer
- python
- bloom-filter
DNABERT: pre-trained Bidirectional Encoder Representations from Transformers model for DNA-language in genome
- kmer
- dnabert-model
- kmer-format
- gpu
Firedrake is an automated system for the portable solution of partial differential equations using the finite element method (FEM)
Interactive network visualization in Python and Dash, powered by Cytoscape.js
- plotly-dash
- plotly
- dash
- cytoscape
Algebraic Multigrid Solvers in Python
- amg
- solver
- python
- multigrid
Add built-in support for quaternions to numpy
FiPy is a Finite Volume PDE solver written in Python
- scientific-computing
- scientific-computing-with-python
- phase-field
- materials-science
Molecular Processing Made Easy.
- python
- molecule
- rdkit
- drug-discovery
Vision-Language Pathology Foundation Model - Nature Medicine
- bioimage-analysis
- bioimage-informatics
- conch
- foundation-model
A tool for semi-automatic cell type classification
- python
- single-cell
- machine-learning
- scrna-seq