1.RosettaCommons / RFD4-Proteina
Generative biopolymer design with rich conditioning.
+47 stars
from 495 · score 3.87
Trending repositories
Ranked by Attention Score: stars gained over the last 7 complete days
28 repositories by Attention Score · Oct 29, 2026 – Nov 4, 2026 (UTC)
+21 stars
from 15,164 · score 3.09
+19 stars
from 3,647 · score 3.00
4.projectchrono / chrono
High-performance C++ library for multiphysics and multibody dynamics simulations
- simulation
- physics-simulation
- modeling
- robotics
- physics-engine
- multibody-dynamics
- +4 more
+17 stars
from 3,124 · score 2.89
5.X-DataInitiative / tick
Module for statistical learning, with a particular emphasis on time-dependent modelling
- machine-learning
- python
- point-process
- optimization
- modelling
- statistics
+9 stars
from 604 · score 2.30
6.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
+8 stars
from 2,277 · score 2.20
7.OpenMathLib / OpenBLAS
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
- blas
- lapack
- lapacke
+7 stars
from 7,656 · score 2.08
+7 stars
from 5,402 · score 2.08
9.shapely / shapely
Manipulation and analysis of geometric objects
+4 stars
from 4,533 · score 1.61
10.qutip / qutip
QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
- quantum-computing
- quantum-mechanics
- +3 more
+3 stars
from 2,092 · score 1.39
11.pvlib / pvlib-python
A set of documented functions for simulating the performance of photovoltaic energy systems.
- solar-energy
- python
- renewable-energy
- renewables
- photovoltaic
+3 stars
from 1,711 · score 1.39
12.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
+2 stars
from 8,453 · score 1.10
13.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 1,230 · score 1.10
14.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
+2 stars
from 1,199 · score 1.10
15.mordred-descriptor / mordred
a molecular descriptor calculator
+2 stars
from 484 · score 1.10
16.cclib / cclib
Parsers and algorithms for computational chemistry logfiles
- python
- computational-chemistry
- quantum-chemistry
+2 stars
from 431 · score 1.10
17.arrayfire / arrayfire
ArrayFire: a general purpose GPU library.
+1 stars
from 4,907 · score 0.69
18.scikit-optimize / scikit-optimizeArchived
Sequential model-based optimization with a `scipy.optimize` interface
- bayesopt
- optimization
- scientific-computing
- machine-learning
- hyperparameter
- bayesian-optimization
- +9 more
+1 stars
from 2,830 · score 0.69
19.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 1,885 · score 0.69
20.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
+1 stars
from 672 · score 0.69
22.ginkgo-project / ginkgo
Numerical linear algebra software package
- linear-algebra
- hpc
- gpu-computing
- cuda
- krylov-methods
- preconditioning
- +6 more
+1 stars
from 629 · score 0.69
23.kexinhuang12345 / MolTrans
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
+1 stars
from 250 · score 0.69
24.brainglobe / cellfinder
Automated 3D cell detection in very large images
- microscopy
- cell-detection
- deep-learning
- image-analysis
- neuroscience
- python
- +2 more
+1 stars
from 232 · score 0.69
25.CSOgroup / cellcharter
A Python package for the identification, characterization and comparison of spatial clusters from spatial -omics data.
+1 stars
from 203 · score 0.69
26.theislab / nicheformer
Repository for Nicheformer: a foundation model for single-cell and spatial omics
+1 stars
from 178 · score 0.69
27.brainglobe / brainreg
Automated 3D brain registration with support for multiple species and atlases.
- registration
- atlases
- brain
- neuroscience
- microscopy
- neuroanatomy
+1 stars
from 151 · score 0.69
28.weigertlab / spotiflow
Accurate and efficient spot detection for microscopy data
+1 stars
from 147 · score 0.69