Change the repository type filter
All
Repositories list
27 repositories
chemcloud-server
Publicchemcloud-client
PublicPython client for TeraChem Cloudbigchem
Publicneb-dynamics
Publictcpb-client
PublicPython client for TeraChem's protobuf server modePBCNonOrbital
PublicPYSEQM
Publicterachem-manual
Publicmolar
Publicqchem_to_terachem_helper
Publiceri-regent
Publicaimsprop
PublicA repository for the representation and manipulation of AIMS-type trajectories, particularly for use in computing time-dependent properties (bond lengths, angles, torsions, X-ray scattering, UED, photoelectron, UV-Vis, etc) in a semi-uniform manner.traefik-reverse-proxy
PublicARPC_InteractiveQC
PublicMaterial for ARPC article on human interaction with quantum chemistryBSIE-GNN
PublicChemPixCH
PublicRecognising hand-drawn molecules with neural networkstcpb-cpp
Publicj-eri-regent
Publicretropath-web
Publiclightspeed
PublicMPI_TCFMS_minimal
PublicExtracted out the mpi communication logic between Terachem (server.cpp) and FMS (client.cpp) for debuggingtinker9_tinkerbox
Publictinker8_tinkerbox
PublicQCEngine
PublicChemVox
PublicThis is the python source code of ChemVox (https://www.amazon.com/dp/B08G1C97J5). ChemVox is a free, ready to use Alexa skill that interfaces Amazon Web Services (AWS) with the PubChem chemical database and the TeraChem Cloud framework for cloud based quantum chemistry. ChemVox can answer questions related to the electronic properties of small a…networkx
Publicgeodesic-interpolate
Public