Pinned Repositories
Auto3D_pkg
BAT.py
A fully automated python tool for high-performance absolute binding free energy calculations
bitenet
Spatiotemporal identification of druggable binding sites using deep learning
bridge
PyMol plugin for hydrogen bond and water wire analysis of crystal structures and MD simulations.
CommonNNClustering
correlationplus
A Python package to calculate, visualize and analyze correlation maps of proteins.
cps
Command Processor Scheduler
DeepBSP
Deep Binding Structure RMSD Prediction
DeLinker
RSO
baba-hashimoto's Repositories
baba-hashimoto/RSO
baba-hashimoto/Auto3D_pkg
baba-hashimoto/CommonNNClustering
baba-hashimoto/correlationplus
A Python package to calculate, visualize and analyze correlation maps of proteins.
baba-hashimoto/DLPacker
DLPacker
baba-hashimoto/DPAM
A domain parser for Alphafold models
baba-hashimoto/espaloma
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
baba-hashimoto/exprorer_msmd
MSMD (mixed-solvent molecular dynamics) engine and analysis tools
baba-hashimoto/Fermi.jl
Fermi quantum chemistry program
baba-hashimoto/freesasa
C-library for calculating Solvent Accessible Surface Areas
baba-hashimoto/GPT4pdb
baba-hashimoto/gr-predictor
baba-hashimoto/gromacs-input-files
GROMACS input files
baba-hashimoto/gvp
baba-hashimoto/HighFold
A fixed version of HighFold where the Amber minimization does not break the N-C peptide bond of the macrocycle (Monomer or Multimer).
baba-hashimoto/HPPNcolor
baba-hashimoto/HTPolyNet
Development of High-Throughput Polymer Network Atomistic Simulation
baba-hashimoto/HyperMPNN
HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles
baba-hashimoto/Introduction-to-Monte-Carlo
baba-hashimoto/LocalColabDesign
Making Protein Design accessible to all via Google Colab!
baba-hashimoto/md-stateinterpreter
baba-hashimoto/MDScan
An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics
baba-hashimoto/pandas
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
baba-hashimoto/pdb-tools
A dependency-free cross-platform swiss army knife for PDB files.
baba-hashimoto/PEGgenerator
Generate PEG topology for GROMACS and LAMMPS
baba-hashimoto/ProteinMPNN
Code for the ProteinMPNN paper
baba-hashimoto/QEPPI
Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
baba-hashimoto/RadonPy
RadonPy is a Python library to automate physical property calculations for polymer informatics.
baba-hashimoto/RGMolSA
baba-hashimoto/SURFMAP