cschlick's repositories
dual_quaternions_ros
Basic Dual Quaternion functionality and conversions from/to ROS messages
Harmonic-Oscillator
Simple harmonic oscillator using godot
qscore_standalone
An implementation of the cryo-EM validation metric Q-score using cctbx/numpy/scipy
alphafold
Open source code for AlphaFold.
biochem-notebooks
Python notebooks with biochem related topics
cctbx_project
Computational Crystallography Toolbox
COD_tools
A set of scripts to filter the COD database for use as a molecular training set
espaloma
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
geostd_mol
A subset of molecule structures which appear in the Phenix geostd library. Here, they have been converted to .mol file format.
Hexamer_measurements
A place to store scripts for measuring hexamer structural properties for HBV capsid
notebooks
A location to store and organize personal notebooks
openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
phenix_fragments
An experimental toolbox for working with molecular fragments and generating chemical restraints for the Phenix project
PhenixML
A framework for doing classification and regression tasks on molecular fragments
pyquaternion
A fully featured, pythonic library for representing and using quaternions
s3ql
a full featured file system for online data storage
StarIO
Simple Input/Output between .star files from the Relion EM software and Pandas dataframes
Transformer
Transformer seq2seq model, program that can build a language translator from parallel corpus
umap
Uniform Manifold Approximation and Projection