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abexpress

Antibody expressability assessment and optimization using LSTM

additional_protocol_data

A repository for holding canonical inputs for Rosetta used by some (but not all) protocols; this is for data too big to go in main/database and that is not tightly coupled to the code in main/.

af2_peptide_hallucination

Code for designing binders to flexible peptides with AlphaFold2 Hallucination

alphafold

Open source code for AlphaFold.

autorotlib

bakerlab_dotfiles

Configuration files the way we like 'em

bcl_rosetta

A version of the Biochemical Library (BCL; https://github.com/BCLCommons/bcl) for integration with Rosetta.

binder

Binder, tool for automatic generation of Python bindings

boost_integer

Boost.org integer module

boost_lexical_cast

General literal text conversions, such as an int represented as a string, or vice versa

boost_multi_index

Boost.org multi_index module

deepab

Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.

demos

Demos of many Rosetta applications

documentation

Documentation for Rosetta Applications

fvhallucinator

jade2

General repository for python modules and scripts to aid in the design, analysis, and modeling of biomolecules.

libzmq

ZeroMQ core engine in C++, implements ZMTP/3.1

mmtf-cpp

The pure C++ implementation of the MMTF API, decoder and encoder.

privileged_residues

protein_generator

Joint sequence and structure generation with RoseTTAFold sequence space diffusion

pybind11

Seamless operability between C++11 and Python

pyrosetta.notebooks

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

pyrosetta_colab_setup

Files for our auxiliary pyrosetta_colab_setup PyPI package

pyrosetta_scripts

A place in which scripts developed in PyRosetta can be stored and shared. In the not too distant future, these scripts will be tested along side the main repository to ensure that they continue to work even if we make changes to the interfaces of core classes.

pyrosetta_viewer3d

Display PackedPose objects, Pose objects, or PDB files within a Jupyter notebook and Google Colab

pyrosettascripts_demo

Demonstration python-rosettascripts integration repo.

rdkit

The official sources for the RDKit library

rfdesign

Protein hallucination and inpainting with RoseTTAFold

rfdiffusion

Code for running RFdiffusion

rosetta

The Rosetta Bio-macromolecule modeling package.