Schrodinger, Inc.'s repositories
fixed-data-table-2
A React table component designed to allow presenting millions of rows of data.
pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
gpusimilarity
A Cuda/Thrust implementation of fingerprint similarity searching
coordgenlibs
Schrodinger-developed 2D Coordinate Generation
public_binding_free_energy_benchmark
The public versio
pymol-testing
PyMOL Testing Framework
fep-restraints
Tools to add restraints to FEP runs (currently only AB-FEP). Includes a workflow to determine reference structures and restraint widths from plain MD simulations.
linux_package_requirement
Script to check required packages for Schrödinger suite on Linux machine
functional-response
Supporting materials for the functional response manuscript: analysis code, machine-readable results, and FEP starting poses.
infra-tester
YAML configuration based infrastructure testing.
descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
hacking-the-gender-stack-2024-template
Starter template for a Django project
postgresql
Development repository for Opscode Cookbook postgresql
protein-fep-benchmark
Data and scripts for the Protein Binding FEP+ benchmark manuscript.