1.RosettaCommons / RFD4-Proteina
Generative biopolymer design with rich conditioning.
+62 stars
from 477 · score 4.14
Trending repositories
Ranked by Attention Score: stars gained over the last 7 complete days
28 repositories by Attention Score · Oct 28, 2026 – Nov 3, 2026 (UTC)
+22 stars
from 15,159 · score 3.14
3.projectchrono / chrono
High-performance C++ library for multiphysics and multibody dynamics simulations
- simulation
- physics-simulation
- modeling
- robotics
- physics-engine
- multibody-dynamics
- +4 more
+20 stars
from 3,120 · score 3.04
+19 stars
from 3,646 · score 3.00
5.OpenMathLib / OpenBLAS
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
- blas
- lapack
- lapacke
+10 stars
from 7,652 · score 2.40
6.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 603 · score 2.30
+7 stars
from 5,400 · score 2.08
8.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
+7 stars
from 2,276 · score 2.08
9.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
+4 stars
from 8,451 · score 1.61
10.shapely / shapely
Manipulation and analysis of geometric objects
+3 stars
from 4,533 · score 1.39
11.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
12.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 1,709 · score 1.39
13.arrayfire / arrayfire
ArrayFire: a general purpose GPU library.
+2 stars
from 4,906 · score 1.10
14.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
+2 stars
from 3,770 · score 1.10
15.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
+2 stars
from 671 · score 1.10
17.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
+2 stars
from 611 · score 1.10
18.mordred-descriptor / mordred
a molecular descriptor calculator
+2 stars
from 484 · score 1.10
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
+1 stars
from 2,233 · score 0.69
20.NVIDIA / MatX
An efficient C++20 GPU numerical computing library with Python-like syntax
+1 stars
from 1,451 · score 0.69
21.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
+1 stars
from 1,230 · score 0.69
22.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
23.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
24.wavebitscientific / functional-fortran
Functional programming for modern Fortran
- functional-programming
- fortran
+1 stars
from 438 · score 0.69
25.cclib / cclib
Parsers and algorithms for computational chemistry logfiles
- python
- computational-chemistry
- quantum-chemistry
+1 stars
from 431 · score 0.69
26.kexinhuang12345 / MolTrans
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
+1 stars
from 250 · 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.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