published Published 4 months ago
pylattica: a package for prototyping lattice models in chemistry and materials science
Python
@mcgalcode
published Published 7 months ago
DeepRank2: Mining 3D Protein Structures with Geometric Deep Learning
Python Jupyter Notebook
@gcroci2
published Published 11 months ago
OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity technique
Jupyter Notebook Python
@stevenshave
published Published about 1 year ago
Molearn: a Python package streamlining the design of generative models of biomolecular dynamics
Python
@degiacom
@AlexBuccheri
published Published almost 2 years ago
Xponge: A Python package to perform pre- and post-processing of molecular simulations
Python
@Xia-Yijie
published Published over 2 years ago
pyscreener: A Python Wrapper for Computational Docking Software
Python
@davidegraff
published Published over 2 years ago
OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database
Python Jupyter Notebook
@dominiquesydow
published Published almost 3 years ago
LDDS: Python package for computing and visualizing Lagrangian Descriptors for Dynamical Systems
Python Jupyter Notebook
@Shibabrat
published Published about 3 years ago
@patrickfuchs
