comecattin
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SULLEY Public
Symmetry Understanding of Local frames for Learning Equivariant geometrY
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FeNNol Public
Forked from thomasple/FeNNolForce-field-enhanced Neural Networks optimized library
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comecattin.github.io Public
This is the source code for my personal website
HTML GNU General Public License v3.0 UpdatedNov 6, 2024 -
F-MD Public
Molecular Dynamic on water using Fortran
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tinker Public
Forked from TinkerTools/tinkerTinker: Software Tools for Molecular Design
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tinker-hp Public
Forked from TinkerTools/tinker-hpTinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
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JAX-MD Public
Molecular dynamics simulation using JAX library
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Phase-Diagram-LJ Public
Molecular dynamics simulation of Lennard-Jones system. Project done in the context of a numerical statistical project in M1.
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YOCKO Public
geometrY Hartree-FOCK Optimisation. A project done in the context of an M1 numerical project.
Python GNU General Public License v3.0 UpdatedDec 13, 2023 -
ILM Public
Repository of the different codes developed during my M2 insternship at the ILM
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PyEMMA Public
Forked from markovmodel/PyEMMA🚂 Python API for Emma's Markov Model Algorithms 🚂
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theodore-qc Public
Forked from felixplasser/theodore-qcTheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
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FMQ3_package Public
Some python librairies for data treatement in the FMQ3 lab, where I did my M1 internship (Max Planck Institute)
Python UpdatedJun 28, 2022