GitHub
Chemiscope
Chemiscope: interactive structure-property explorer for materials and molecules - Published in JOSS (2020)
wrapyfi
Robotics MOM and RPC middleware wrapper with deep-learning framework integration
galore-torch
GaLore: Memory-Efficient LLM Training by Gradient Low-Rank Projection
torchfl
A Python library for rapid prototyping, experimenting, and logging of federated learning using state-of-the-art models and datasets. Built using PyTorch and PyTorch Lightning.
uqpy
UQpy (Uncertainty Quantification with python) is a general purpose Python toolbox for modeling uncertainty in physical and mathematical systems.
kglab
Graph Data Science: an abstraction layer in Python for building knowledge graphs, integrated with popular graph libraries – atop Pandas, NetworkX, RAPIDS, RDFlib, pySHACL, PyVis, morph-kgc, pslpython, pyarrow, etc.
deepflash2
A deep-learning pipeline for segmentation of ambiguous microscopic images.
farm-haystack
AI orchestration framework to build customizable, production-ready LLM applications. Connect components (models, vector DBs, file converters) to pipelines or agents that can interact with your data. With advanced retrieval methods, it's best suited for building RAG, question answering, semantic search or conversational agent chatbots.
atomec
Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.
reflame
reflame: Revolutionizing Functional Link Neural Network by Metaheuristic Optimization
nlpo3
Thai natural language processing library in Rust, with Python and Node bindings.
lg4x-v2
A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analysis. The interface streamlines the fitting procedures for validating results and their consistency.
cryptopt
CryptOpt: Verified Compilation with Randomized Program Search for Cryptographic Primitives
fritap
Simplifying SSL/TLS traffic analysis for researchers by making SSL decryption effortless.
Galore
Galore: Broadening and weighting for simulation of photoelectron spectroscopy - Published in JOSS (2018)
spanishoddata
Access national high-quality and open-access datasets on movement patterns derived from mobile telephone datasets / Accede y usa datos nacionales abiertos sobre movimientos basados en teléfonos móviles.
pyart
The Python-ARM Radar Toolkit. A data model driven interactive toolkit for working with weather radar data.
https://github.com/metatensor/metatrain
Training and evaluating machine learning models for atomistic systems.
mpitrampoline
A forwarding MPI implementation that can use any other MPI implementation via an MPI ABI
dbdipy
A Python library for the inspection, curation and interpretation of DBDI-MS data.
wildrtrax
This is an R package that enables environmental sensor users to create comprehensive work flows for managing and analyzing data
qha
A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
lvlspy
A python package developed to handle quantum levels which can act as a basis for larger simulations
https://github.com/stfc/psyclone
PSyclone is a source-to-source Fortran compiler designed to programmatically optimise, parallelise and instrument HPC applications via user-provided transformation scripts.
frouros
Frouros: an open-source Python library for drift detection in machine learning systems.
habitat
🔮 Execution time predictions for deep neural network training iterations across different GPUs.
proxtorch
An efficient GPU-compatible library built on PyTorch, offering a wide range of proximal operators and constraints for optimization and machine learning tasks.
pdbeccdutils
A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dictionary, uses RDKit
tb-variant-filter
A tool for filtering VCF files (relative to M. tuberculosis H37Rv)
Desalination and brine treatment systems integrated modelling framework
Desalination and brine treatment systems integrated modelling framework: simulation and evaluation of water and resource recovery - Published in JOSS (2024)
lexicalrichness
:smile_cat: :speech_balloon: A module to compute textual lexical richness (aka lexical diversity).
geemap
geemap: A Python package for interactive mapping with Google Earth Engine - Published in JOSS (2020)
fiducia
An open source package for DANTE signal analysis using the cubic spline unfold method.
quaternionic
Interpret numpy arrays as quaternionic arrays with numba acceleration
at3d
Retrieves 3D cloud properties from multi-angle images of reflected solar radiation
py3dep
A part of HyRiver software stack for getting topography data within the US through 3D Elevation Program (3DEP)
@cloudflare/zkp-ecdsa
Proves knowledge of an ECDSA-P256 signature under one of many public keys that are stored in a list.
pecan-pr-sandbox
A clone of PecanProject/pecan, used for testing CI changes without annoying the whole team
paddlescience
PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.
dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
gnina-torch
🔥 PyTorch implementation of GNINA scoring function for molecular docking
sparsevit
[CVPR'23] SparseViT: Revisiting Activation Sparsity for Efficient High-Resolution Vision Transformer
protease_activity_analysis
Python toolkit and package for analyzing enzyme activity data
trocq
A modular parametricity plugin for proof transfer in Coq [maintainers=@CohenCyril,@ecranceMERCE,@amahboubi]
micrometaapp-electron
Electron wrapped, stand-alone version of Micro-Meta App, microscopy metadata for the real world!
deepke
[EMNLP 2022] An Open Toolkit for Knowledge Graph Extraction and Construction
noresm-land-sites-platform
NorESM Land Sites Platform (NorESM-LSP) for site-level simulation over land with CLM-FATES
sinabs
A deep learning library for spiking neural networks which is based on PyTorch, focuses on fast training and supports inference on neuromorphic hardware.
exaca
Cellular automata code for alloy nucleation and solidification written with Kokkos