sirmarcel

Doctoral student in machine learning for materials science.

EPFLLausanne

Pinned Repositories

asax
ase + jax-md = asax
Language:Jupyter Notebook8 2 21
cmlkit
tools for machine learning in condensed matter physics and quantum chemistry
Language:Python34 3 86
comms
python communications
Language:Python2 1 00
doctor-archive
my dissertation
Language:TeX3 1 00
gknet-archive
data and code for "heat flux for semi-local machine-learning potentials"
Language:Shell2 1 20
gkx
Green-Kubo + JAX + MLPs = Anharmonic Thermal Conductivities Done Fast
Language:Python3 1 00
glp
tools for graph-based machine-learning potentials in jax
Language:Python17 2 02
glp-archive
data and code for "stress and heat flux via automatic differentiation"
Language:Python1 2 00
octolog
the octopress setup powering lumenlog.com
Language:Ruby3 1 01
simple-hf
Simple Hartree-Fock
Language:Python3 1 02

sirmarcel's Repositories

sirmarcel/cmlkit
tools for machine learning in condensed matter physics and quantum chemistry
Language:Python34 3 86
sirmarcel/glp
tools for graph-based machine-learning potentials in jax
Language:Python17 2 02
sirmarcel/asax
ase + jax-md = asax
Language:Jupyter Notebook8 2 21
sirmarcel/doctor-archive
my dissertation
Language:TeX3 1 00
sirmarcel/gkx
Green-Kubo + JAX + MLPs = Anharmonic Thermal Conductivities Done Fast
Language:Python3 1 00
sirmarcel/octolog
the octopress setup powering lumenlog.com
Language:Ruby3 1 01
sirmarcel/simple-hf
Simple Hartree-Fock
Language:Python3 1 02
sirmarcel/comms
python communications
Language:Python2 1 00
sirmarcel/floq
FLOQ - A Python module for smooth robust quantum control
Language:Python2 3 13
sirmarcel/gknet-archive
data and code for "heat flux for semi-local machine-learning potentials"
Language:Shell2 1 20
sirmarcel/podding
podding. just a mock-up...
Language:Ruby2 2 01
sirmarcel/cscribe
cmlkit plugin for the dscribe package
Language:Python1 0 02
sirmarcel/glp-archive
data and code for "stress and heat flux via automatic differentiation"
Language:Python1 2 00
sirmarcel/macx
(m)ace + jax
Language:Python1 3 11
sirmarcel/schnetkit
[draft] tools for schnetpack
Language:Python1 1 01
sirmarcel/sirmarcel
profile
1 1 0
sirmarcel/specable
[draft] dictionaries to objects and vice versa
Language:Python1 1 0
sirmarcel/cmlkit-examples
Examples for the usage of cmlkit
Language:Python1 0
sirmarcel/home
A very rudimentary home page in php adapted from Shaun Inman's unplayed
Language:PHP1 0
sirmarcel/i-pi
i-PI: a universal force engine
Language:Python
sirmarcel/miniphonic
A paper-thin Ruby wrapper around the auphonic.com API
Language:Ruby1 0
sirmarcel/mlff
Build neural networks for machine learning force fields with JAX
Language:Python0 0
sirmarcel/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
Language:Python0 0
sirmarcel/note-server
Put your notes in your new tabs! Maybe!
Language:Ruby1 0
sirmarcel/podding_import
A very stupid importer for podding
Language:Ruby1 0
sirmarcel/schnax
An implementation of SchNet in JAX and JAX-MD.
Language:Python0 0
sirmarcel/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python1 0
sirmarcel/son
sequential object notation
Language:Python0 0