D. E. Shaw Research
D. E. Shaw Research develops and uses paradigm-shifting computational technologies to reshape the process of drug discovery.
New York, NY
Pinned Repositories
DESMILES
Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"
fs123
fs123 network filesystem
msys
Tools for preparation and analysis of systems for molecular dynamics.
random123
Counter-based random number generators for C, C++ and CUDA.
Random123-Boost
Proposed Random123 functions for Boost.Random
sns-mp2
Technical-Reports
D. E. Shaw Research Technical Reports
tss
Times Square Sampling
viparr
Parameterize chemical systems for Desmond and Anton.
viparr-ffpublic
Public domain forcefields for viparr
D. E. Shaw Research's Repositories
DEShawResearch/random123
Counter-based random number generators for C, C++ and CUDA.
DEShawResearch/fs123
fs123 network filesystem
DEShawResearch/sns-mp2
DEShawResearch/Random123-Boost
Proposed Random123 functions for Boost.Random
DEShawResearch/msys
Tools for preparation and analysis of systems for molecular dynamics.
DEShawResearch/DESMILES
Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"
DEShawResearch/viparr-ffpublic
Public domain forcefields for viparr
DEShawResearch/Technical-Reports
D. E. Shaw Research Technical Reports
DEShawResearch/viparr
Parameterize chemical systems for Desmond and Anton.
DEShawResearch/tss
Times Square Sampling
DEShawResearch/SIMPLEchangepoint
DEShawResearch/PACBayesHyperOpt
DEShawResearch/ark
DESRES config file format and associated tools
DEShawResearch/qhull
Qhull development for www.qhull.org -- Qhull 2020.2 (8.1-alpha1) at https://github.com/qhull/qhull/wiki
DEShawResearch/viparr-ff-unpublished
Viparr forcefields released without accompanying publication