biophysics 开源项目推荐（465 个）

OpenFreeEnergy /openfe

开放自由能源工具包

DeepTrackAI /DeepTrack2

DeepTrack2 是一个模块化 Python 库，用于为机器学习和实验成像生成、操作和分析图像数据流水线。

jaxleyverse /jaxley

Differentiable neuron simulations with biophysical detail on CPU, GPU, or TPU.

Electrostatics /pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

drorlab /pensa

PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.

Electrostatics /apbs

Software for biomolecular electrostatics and solvation calculations

Electrostatics /apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation

maxscheurer /pycontact

Analysis of non-covalent interactions in MD trajectories

RI-imaging /ODTbrain

Python library for diffraction tomography with the Born and Rytov approximations

graik /biskit

A Python platform for Structural Bioinformatics

weria-pezeshkian /FreeDTS

a package to simulate fluid surfaces and biomembranes

ronceray /StochasticForceInference

Learn stochastic differential equations (Langevin dynamics: drift/force and diffusion) from time series and trajectory data. Python + JAX.

bowman-lab /enspara

Modeling molecular ensembles with scalable data structures and parallel computing

martavarela /EP-PINNs

EP-PINNs implementation for 1D and 2D forward and inverse solvers for the Aliev-Panfilov cardiac electrophysiology model. Also includes Matlab finite-differences solver for data generation.

kamerlinlab /KIF

KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.

Electrostatics /electrostatics.github.io

APBS & PDB2PQR - software for biomolecular electrostatics and solvation

cbsteh /PySawit

Oil Palm Growth and Yield Model

osita-sunday-nnyigide /Pras_Server

Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by amide-amide interactions of the backbone

Xooter /Open-Microcosm

Open-source virtual microscope lab: real microorganisms, cell cultures and plant tissues whose life emerges from physics (soft bodies, low-Reynolds fluid, chemistry). Reproducible and measurable, for research and teaching.

pylattice /pyLattice

A python library for advanced lattice light-sheet image analysis