JOSS Papers: edited by @richardjgowers

Published Papers

published Published 11 months ago

pylattica: a package for prototyping lattice models in chemistry and materials science

Python

10.21105/joss.06170

published Published about 1 year ago

DeepRank2: Mining 3D Protein Structures with Geometric Deep Learning

Python Jupyter Notebook

10.21105/joss.05983

published Published over 1 year ago

OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity technique

Jupyter Notebook Python

10.21105/joss.05763

published Published over 1 year ago

Molearn: a Python package streamlining the design of generative models of biomolecular dynamics

Python

10.21105/joss.05523

published Published almost 2 years ago

excitingtools: An exciting Workflow Tool

Python

10.21105/joss.05148

published Published over 2 years ago

Xponge: A Python package to perform pre- and post-processing of molecular simulations

Python

10.21105/joss.04467

published Published about 3 years ago

pyscreener: A Python Wrapper for Computational Docking Software

Python

10.21105/joss.03950

published Published about 3 years ago

OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database

Python Jupyter Notebook

@dominiquesydow

10.21105/joss.03951

published Published over 3 years ago

LDDS: Python package for computing and visualizing Lagrangian Descriptors for Dynamical Systems

Python Jupyter Notebook

10.21105/joss.03482

published Published over 3 years ago

buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters

Python

10.21105/joss.03521

Displaying papers 1 - 10 of 17 in total

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