laumalo

Laura Malo's repositories

ConsensusDocking

ConsensusDocking is a pipeline designed to preprocess, cluster and analyze protein-protein docking structures obtained using different docking softwares.

Language:PythonMIT8 1 1

frag_hop

FragHop (Fragment hopping) is a Python tool capable of replacing a fragment in a ligand in order to generate a similar molecule.

Language:PythonMIT1 1 1

TFM

Master Thesis in Applications of Machine Learning to Quantum Phase Transition

Language:Python100

ComPhy

Projects on Computational Physics

Language:Python000

deep_frag

Language:Python010

equidock_public

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

Language:RoffMIT000

masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

Language:PythonApache-2.0000

RL

Projects based on Reinforcement Learning

Language:Jupyter Notebook000