alxpks's Stars
MobleyLab/blues
Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling
scikit-optimize/scikit-optimize
Sequential model-based optimization with a `scipy.optimize` interface
perrygeo/simanneal
Python module for Simulated Annealing optimization
juggernaut/nginx-flask-postgres-docker-compose-example
A working example of nginx+flask+postgres multi-container setup using Docker Compose
Acellera/htmd
HTMD: Programming Environment for Molecular Discovery
nylas/nylas-mail
:love_letter: An extensible desktop mail app built on the modern web. Forks welcome!
nteract/hydrogen
:atom: Run code interactively, inspect data, and plot. All the power of Jupyter kernels, inside your favorite text editor.
vercel/hyper
A terminal built on web technologies
jensengroup/CHSQM
Prediction of labile carbon hydrogens using semiempirical methods
django/django
The Web framework for perfectionists with deadlines.
spotify/luigi
Luigi is a Python module that helps you build complex pipelines of batch jobs. It handles dependency resolution, workflow management, visualization etc. It also comes with Hadoop support built in.
PrestaShop/PrestaShop
PrestaShop is the universal open-source software platform to build your e-commerce solution.
jkitchin/dft-book
A book on modeling materials using VASP, ase and vasp
openmm/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
rdkit/rdkit
The official sources for the RDKit library
tornadoweb/tornado
Tornado is a Python web framework and asynchronous networking library, originally developed at FriendFeed.