1.RosettaCommons / RFD4-Proteina
Generative biopolymer design with rich conditioning.
+544 stars
from 1 · score 6.30
Trending repositories
Ranked by Attention Score: stars gained over the last 30 complete days
44 repositories by Attention Score · Oct 5, 2026 – Nov 3, 2026 (UTC)
+115 stars
from 15,066 · score 4.75
+87 stars
from 5,320 · score 4.48
4.projectchrono / chrono
High-performance C++ library for multiphysics and multibody dynamics simulations
- simulation
- physics-simulation
- modeling
- robotics
- physics-engine
- multibody-dynamics
- +4 more
+75 stars
from 3,065 · score 4.33
+62 stars
from 3,603 · score 4.14
6.OpenMathLib / OpenBLAS
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
- blas
- lapack
- lapacke
+57 stars
from 7,605 · score 4.06
7.X-DataInitiative / tick
Module for statistical learning, with a particular emphasis on time-dependent modelling
- machine-learning
- python
- point-process
- optimization
- modelling
- statistics
+56 stars
from 556 · score 4.04
8.pvlib / pvlib-python
A set of documented functions for simulating the performance of photovoltaic energy systems.
- solar-energy
- python
- renewable-energy
- renewables
- photovoltaic
+32 stars
from 1,680 · score 3.50
9.mfem / mfem
Lightweight, general, scalable C++ library for finite element methods
- finite-elements
- high-order
- high-performance-computing
- parallel-computing
- amr
- computational-science
- +5 more
+27 stars
from 2,256 · score 3.33
10.gonum / gonum
Gonum is a set of numeric libraries for the Go programming language. It contains libraries for matrices, statistics, optimization, and more
- go
- golang
- scientific-computing
- data-analysis
- matrix
- statistics
- +1 more
+21 stars
from 8,434 · score 3.09
11.scverse / scvi-tools
Deep probabilistic analysis of single-cell and spatial omics data
- scrna-seq
- variational-bayes
- variational-autoencoder
- cite-seq
- single-cell-genomics
- single-cell-rna-seq
- +4 more
+20 stars
from 1,700 · score 3.04
12.shapely / shapely
Manipulation and analysis of geometric objects
+17 stars
from 4,519 · score 2.89
13.qutip / qutip
QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
- quantum-computing
- quantum-mechanics
- +3 more
+17 stars
from 2,078 · score 2.89
14.scverse / squidpy
Spatial Single Cell Analysis in Python
- single-cell-rna-seq
- single-cell-genomics
- spatial-transcriptomics
- spatial-analysis
- image-analysis
- data-visualization
- +2 more
+13 stars
from 600 · score 2.64
+11 stars
from 662 · score 2.48
16.kexinhuang12345 / DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
- covid19
- virtual-screening
- +13 more
+9 stars
from 1,192 · score 2.30
17.arrayfire / arrayfire
ArrayFire: a general purpose GPU library.
+8 stars
from 4,900 · score 2.20
18.xtensor-stack / xtensor
C++ tensors with broadcasting and lazy computing
- c-plus-plus-14
- numpy
- multidimensional-arrays
- tensors
- c-plus-plus-17
- c-plus-plus-20
- +1 more
+8 stars
from 3,764 · score 2.20
19.ahmedfgad / GeneticAlgorithmPython
Source code of PyGAD, a Python 3 library for building the genetic algorithm and training machine learning algorithms (Keras & PyTorch).
- python
- genetic-algorithm
- optimization
- numpy
- pygad
- pygad-documentation
- +4 more
+7 stars
from 2,227 · score 2.08
20.ginkgo-project / ginkgo
Numerical linear algebra software package
- linear-algebra
- hpc
- gpu-computing
- cuda
- krylov-methods
- preconditioning
- +6 more
+7 stars
from 623 · score 2.08
21.NVIDIA / MatX
An efficient C++20 GPU numerical computing library with Python-like syntax
+5 stars
from 1,447 · score 1.79
22.jwiegley / category-theory
An axiom-free formalization of category theory in Coq for personal study and practical work
- category-theory
- coq
- monad
- profunctor
- comonads
- monoid
- +7 more
+5 stars
from 814 · score 1.79
23.mordred-descriptor / mordred
a molecular descriptor calculator
+5 stars
from 481 · score 1.79
+4 stars
from 704 · score 1.61
25.cclib / cclib
Parsers and algorithms for computational chemistry logfiles
- python
- computational-chemistry
- quantum-chemistry
+4 stars
from 428 · score 1.61
26.kexinhuang12345 / MolTrans
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
+4 stars
from 247 · score 1.61
27.broadinstitute / cromwell
Scientific workflow engine designed for simplicity & scalability. Trivially transition between one off use cases to massive scale production environments
- workflow-execution
- workflow
- cloud
- hpc
- bioinformatics
- executor
- +7 more
+3 stars
from 1,080 · score 1.39
28.theislab / scarches
Reference mapping for single-cell genomics
- single-cell
- deep-learning
- rna-seq-analysis
- data-integration
- batch-correction
- multimodal-deep-learning
- +4 more
+3 stars
from 411 · score 1.39
29.brainglobe / brainglobe-atlasapi
A Python interface to access neuroanatomical atlases
- neuroscience
- python
- microscopy
- registration
- visualisation
- brain
- +1 more
+3 stars
from 187 · score 1.39
30.scikit-optimize / scikit-optimizeArchived
Sequential model-based optimization with a `scipy.optimize` interface
- bayesopt
- optimization
- scientific-computing
- machine-learning
- hyperparameter
- bayesian-optimization
- +9 more
+2 stars
from 2,828 · score 1.10
31.python-adaptive / adaptive
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
- adaptive-learning
- machine-learning
- python
- live-plots
- parallel-computing
- adaptive-sampling
- +3 more
+2 stars
from 1,229 · score 1.10
32.theislab / scvelo
RNA Velocity generalized through dynamical modeling
+2 stars
from 512 · score 1.10
33.clawpack / riemann_book
An interactive book about the Riemann problem for hyperbolic PDEs, using Jupyter notebooks.
- riemann-solver
- python
- jupyter-notebook
- book
- hyperbolic-equations
- partial-differential-equations
- +2 more
+2 stars
from 296 · score 1.10
34.brainglobe / brainreg
Automated 3D brain registration with support for multiple species and atlases.
- registration
- atlases
- brain
- neuroscience
- microscopy
- neuroanatomy
+2 stars
from 150 · score 1.10
35.cpmech / gosl
Linear algebra, eigenvalues, FFT, Bessel, elliptic, orthogonal polys, geometry, NURBS, numerical quadrature, 3D transfinite interpolation, random numbers, Mersenne twister, probability distributions, optimisation, differential equations.
- scientific-computing
- linear-algebra
- differential-equations
- sparse-systems
- parallel-computations
- computational-geometry
- +6 more
+1 stars
from 1,884 · score 0.69
36.koide3 / fast_gicp
A collection of GICP-based fast point cloud registration algorithms
+1 stars
from 1,703 · score 0.69
37.songlab-cal / tape
Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.
- deep-learning
- protein-sequences
- protein-structure
- semi-supervised-learning
- benchmark
- language-modeling
- +2 more
+1 stars
from 745 · score 0.69
38.wavebitscientific / functional-fortran
Functional programming for modern Fortran
- functional-programming
- fortran
+1 stars
from 438 · score 0.69
+1 stars
from 416 · score 0.69
40.samoturk / mol2vecArchived
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
- python
- machine-learning
- cheminformatics
+1 stars
from 293 · score 0.69
41.pbrod / numdifftools
Solve automatic numerical differentiation problems in one or more variables.
+1 stars
from 282 · score 0.69
42.brainglobe / cellfinder
Automated 3D cell detection in very large images
- microscopy
- cell-detection
- deep-learning
- image-analysis
- neuroscience
- python
- +2 more
+1 stars
from 231 · score 0.69
43.hachmannlab / chemml
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
- drug-discovery
- deep-learning
+1 stars
from 179 · score 0.69
44.cafferychen777 / flashdeconv
Fast, deterministic cell-type deconvolution for million-bin spatial transcriptomics
- bioinformatics
- cell-type-deconvolution
- computational-biology
- deconvolution
- python
- scanpy
- +3 more
+1 stars
from 25 · score 0.69