Pinned Repositories
lettuce
Computational Fluid Dynamics based on PyTorch and the Lattice Boltzmann Method
aggforce
Mapping forces for bottom-up molecular coarse-graining
bgflow
Boltzmann Generators and Normalizing Flows in PyTorch
bgmol
Molecular mechanics systems and simulation data
charmm-vs-openmm-energies
cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
jump
Running remote jupyter notebooks in a local browser window.
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Olllom's Repositories
Olllom/jump
Running remote jupyter notebooks in a local browser window.
Olllom/charmm-vs-openmm-energies
Olllom/cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Olllom/docker_coffe
Dockerfile for coffe repository: Linuxbrew with gromacs and python
Olllom/Drude2MPID
A converter to automatically map Drude topology files into MPID ones.
Olllom/jump-feedstock
A conda-smithy repository for jump.
Olllom/LBFGSpp
A header-only C++ library for L-BFGS algorithm
Olllom/libcmaes
libcmaes is a multithreaded C++11 library with Python bindings for high performance blackbox stochastic optimization using the CMA-ES algorithm for Covariance Matrix Adaptation Evolution Strategy
Olllom/libcmaes-feedstock
A conda-smithy repository for libcmaes.
Olllom/mcdiff
Monte Carlo method to obtain diffusion constants
Olllom/mdtraj
An open library for the analysis of molecular dynamics trajectories
Olllom/nflows
Normalizing flows in PyTorch
Olllom/olllom.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics
Olllom/openmmtools
An OpenMM toolkit with test systems, integrators, and alchemical support
Olllom/project_boltzmann_generators
Olllom/pyworkdir
Python working directories
Olllom/pyworkdir-feedstock
A conda-smithy repository for pyworkdir.