GitHub - maccallumlab/adaptremd: Adaptive REMD using SGD

Name		Name	Last commit message	Last commit date
Latest commit History 34 Commits
.gitignore		.gitignore
accmap.py		accmap.py
adapt.pdf		adapt.pdf
adapt.py		adapt.py
adapt_rate_step_size.pdf		adapt_rate_step_size.pdf
bias.ipynb		bias.ipynb
both_decay.pdf		both_decay.pdf
ca_list.dat		ca_list.dat
cplandscape.py		cplandscape.py
decay.pdf		decay.pdf
eco.py		eco.py
eig.py		eig.py
example.ipynb		example.ipynb
fixed_bonds.dat		fixed_bonds.dat
harmonic.py		harmonic.py
harmonic_plot.py		harmonic_plot.py
inpcrd.crd		inpcrd.crd
launch.py		launch.py
make_adapt_rate_plot.py		make_adapt_rate_plot.py
make_adapt_rate_step_size_plot.py		make_adapt_rate_step_size_plot.py
make_both_decay_plot.py		make_both_decay_plot.py
make_decay_plot.py		make_decay_plot.py
make_momentum_learning_rate_plot.py		make_momentum_learning_rate_plot.py
momentum_learning_rate.pdf		momentum_learning_rate.pdf
parallel_remd.py		parallel_remd.py
plot_stuff.py		plot_stuff.py
remd.py		remd.py
restrainedprotein.py		restrainedprotein.py
run_repex.py		run_repex.py
seq3.dat		seq3.dat
simple_harmonic.ipynb		simple_harmonic.ipynb
simplelandscape.py		simplelandscape.py
start.pdb		start.pdb
test_mpi.py		test_mpi.py
topol.top		topol.top
torsions.dat		torsions.dat
variable_bonds0.dat		variable_bonds0.dat