StefanoMuscat's repositories
rf_diffusion_all_atom
Public RFDiffusionAA repo
ROBIN
An analysis of a new experimentally-derived nucleic acid binding chemical library
rnapolis-py
A Python library containing RNA-related bioinformatics functions and classes.
mdtraj
An open library for the analysis of molecular dynamics trajectories
langchain
⚡ Building applications with LLMs through composability ⚡
nanoGPT
The simplest, fastest repository for training/finetuning medium-sized GPTs.
exmol
Explainer for black box models that predict molecule properties
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
nglview
Jupyter widget to interactively view molecular structures and trajectories
REMD_analysis
A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
MDVoxelSegmentation
A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.
iFeature
IFeature Tools
TTClust
clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
BME
Integrating Molecular Simulation and Experimental Data
homebrew-rnatools
formulas for RNA informatics tools