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A curated list of awesome computational cryo-EM methods.
The Inaugural Flatiron Institute Cryo-EM Heterogeneity Community Challenge
Cryo electron microscopy image simulation and analysis built on JAX.
Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
Neural networks for cryo-EM reconstruction
GPU accelerating computing for Bayesian inference of electron microscopy images. BioEM is a publicly available software that enables the characterization of structural models with respect to indivi…
Python package for determination of conformational continua of macromolecules from single-particle cryo-EM data
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
A unified framework for machine learning collective variables for enhanced sampling simulations
Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"
🧬 gget enables efficient querying of genomic reference databases
Spectral Gap Optimization of Parameters
A zotero plugin to automatically merge duplicate items
Improved vim spelling plugin (with camel case support)!
Python implementation of the umbrella integration method for potential of mean force (PMF) calculations
A python implementation of the string method with swarms of trajectories using GROMACS
A python toolkit for analysing membrane protein-lipid interactions.
Python implementation of Dynamical Network Analysis
LOOS: a lightweight object-oriented structure analysis library
Python code for generating Boresch restraints from MD simulations