GitHub
https://github.com/mir-group/allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
pyfastani
Cython bindings and Python interface to FastANI, a method for fast whole-genome similarity estimation.
dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
https://github.com/aspuru-guzik-group/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
com.tdunning:t-digest
A new data structure for accurate on-line accumulation of rank-based statistics such as quantiles and trimmed means
@uwdata/mosaic-core
An extensible framework for linking databases and interactive views.
awesome-implicit-nerf-robotics
A comprehensive list of Implicit Representations and NeRF papers relating to Robotics/RL domain, including papers, codes, and related websites
yaib
🧪Yet Another ICU Benchmark: a holistic framework for the standardization of clinical prediction model experiments. Provide custom datasets, cohorts, prediction tasks, endpoints, preprocessing, and models. Paper: https://arxiv.org/abs/2306.05109
flashrank
Lite & Super-fast re-ranking for your search & retrieval pipelines. Supports SoTA Listwise and Pairwise reranking based on LLMs and cross-encoders and more. Created by Prithivi Da, open for PRs & Collaborations.
openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
iscore
iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machines
macsyfinder
MacSyFinder - Detection of macromolecular systems in protein datasets using systems modelling and similarity search.
manifolds.jl
Manifolds.jl provides a library of manifolds aiming for an easy-to-use and fast implementation.
photutils
Astropy package for source detection and photometry. Maintainer: @larrybradley
deepdiff
DeepDiff: Deep Difference and search of any Python object/data. DeepHash: Hash of any object based on its contents. Delta: Use deltas to reconstruct objects by adding deltas together.
cazy-webscraper
Web scraper to retrieve protein data catalogued by the CAZy, UniProt, NCBI, GTDB and PDB websites/databases.
undate
A Python library for working with fuzzy, partial, or otherwise uncertain dates
biobb-common
Biobb_common is the base package required to use the biobb packages.
widoco
Wizard for documenting ontologies. WIDOCO is a step by step generator of HTML templates with the documentation of your ontology. It uses the LODE environment to create part of the template.
vantage6
The main vantage6 repository: code for the central server, nodes, CLI and Python Client
TulipaEnergyModel
An energy system optimization model that is flexible, computationally efficient, and academically robust.
birds-eye-view-perception
[IEEE T-PAMI 2023] Awesome BEV perception research and cookbook for all level audience in autonomous diriving
mealpy
A Collection Of The State-of-the-art Metaheuristic Algorithms In Python (Metaheuristic/Optimizer/Nature-inspired/Biology)
crystal-toolkit
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
frog
Beyond Backpropagation: Optimization with Multi-Tangent Forward Gradients
mplhep
Extended histogram plotting on top of matplotlib and HEP collaboration compatible styling
scrnaseq
Single-cell RNA-Seq pipeline for barcode-based protocols such as 10x, DropSeq or SmartSeq, offering a variety of aligners and empty-droplet detection
vtuinterface
Python-Interface for reading and writing VTU files and exactracting time series data from PVD/VTU files
code2vec
TensorFlow code for the neural network presented in the paper: "code2vec: Learning Distributed Representations of Code"
gflex
Multiple methods to solve elastic plate flexure, designed for applications to Earth's lithosphere.
athena
Athena++ radiation GRMHD code and adaptive mesh refinement (AMR) framework
networkit
NetworKit is a growing open-source toolkit for large-scale network analysis.
diffusers
🤗 Diffusers: State-of-the-art diffusion models for image, video, and audio generation in PyTorch.
pefile
pefile is a Python module to read and work with PE (Portable Executable) files
terrainbento
A modular landscape evolution modeling package built on top of the Landlab Toolkit.
geospatial-python
Introduction to Geospatial Raster and Vector Data with Python
2024-09-27-python-intro-lesson
Based on https://github.com/librarycarpentry/lc-python-intro/
lida
Automatic Generation of Visualizations and Infographics using Large Language Models
analogvnn
A fully modular framework for modeling and optimizing analog neural networks
awesome-spectral-indices
A ready-to-use curated list of Spectral Indices for Remote Sensing applications.
randepict
This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction styles and image augmentations) based on RDKit, CDK, Indigo and PIKAChU.
pysipfenn
Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dilute, and random atomic configurations, and (3) automated model tuning.
CounterfactualExplanations
A package for Counterfactual Explanations and Algorithmic Recourse in Julia.
pycorrector
pycorrector is a toolkit for text error correction. 文本纠错，实现了Kenlm，T5，MacBERT，ChatGLM3，Qwen2.5等模型应用在纠错场景，开箱即用。
splithalfr
splithalfr: Estimates split-half reliabilities for scoring algorithms of cognitive tasks and questionnaires
awesome-conformal-prediction
A professionally curated list of awesome Conformal Prediction videos, tutorials, books, papers, PhD and MSc theses, articles and open-source libraries.
txtai
💡 All-in-one open-source AI framework for semantic search, LLM orchestration and language model workflows
inundation-mapping
Flood inundation mapping and evaluation software configured to work with U.S. National Water Model.
lindemann
lindemann is a python package to calculate the Lindemann index of a lammps trajectory
symbac
Accurate segmentation of bacterial microscope images using deep learning synthetically generated image data.
library-code
A small collection of mostly ad-hoc tools for research software development
flair
A very simple framework for state-of-the-art Natural Language Processing (NLP)
biobb_analysis
Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.
xnemogcm
Interface to open NEMO global circulation model output dataset with xarray and create a xgcm grid.
emd-signal
Python implementation of Empirical Mode Decompoisition (EMD) method
