{"payload":{"pageCount":1,"repositories":[{"type":"Public","name":"neb-dynamics","owner":"mtzgroup","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-16T20:44:34.632Z"}},{"type":"Public","name":"chemcloud-client","owner":"mtzgroup","isFork":false,"description":"Python client for TeraChem Cloud","allTopics":["cloud-computing","quantum-chemistry"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":4,"starsCount":11,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-13T06:03:13.977Z"}},{"type":"Public","name":"chemcloud-server","owner":"mtzgroup","isFork":false,"description":"Quantum Chemistry in the Cloud","allTopics":["cloud","quantum-chemistry"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":7,"starsCount":1,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-13T05:55:31.263Z"}},{"type":"Public","name":"bigchem","owner":"mtzgroup","isFork":false,"description":"Distributed system for scaling quantum chemistry computations","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":3,"starsCount":6,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-13T05:25:56.404Z"}},{"type":"Public","name":"PYSEQM","owner":"mtzgroup","isFork":true,"description":"an interface to semi-empirical quantum chemistry methods implemented with pytorch","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":16,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-04-24T22:19:58.690Z"}},{"type":"Public","name":"terachem-manual","owner":"mtzgroup","isFork":false,"description":"TeraChem User Manual","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-11-06T01:59:11.473Z"}},{"type":"Public","name":"molar","owner":"mtzgroup","isFork":false,"description":"Augmented-reality chemistry","allTopics":["chemistry","augmented-reality"],"primaryLanguage":{"name":"Swift","color":"#F05138"},"pullRequestCount":0,"issueCount":2,"starsCount":8,"forksCount":2,"license":"Apache License 2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-28T23:10:13.248Z"}},{"type":"Public","name":"tcpb-client","owner":"mtzgroup","isFork":false,"description":"Python client for TeraChem's protobuf server mode","allTopics":["quantum-chemistry"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":7,"starsCount":0,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-25T19:38:11.877Z"}},{"type":"Public","name":"qchem_to_terachem_helper","owner":"mtzgroup","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-29T19:25:12.173Z"}},{"type":"Public","name":"eri-regent","owner":"mtzgroup","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"C","color":"#555555"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-02T20:29:16.967Z"}},{"type":"Public","name":"aimsprop","owner":"mtzgroup","isFork":false,"description":"A 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.","allTopics":["analysis","nonadiabaticdynamics"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":3,"starsCount":3,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-03-31T23:39:35.668Z"}},{"type":"Public","name":"traefik-reverse-proxy","owner":"mtzgroup","isFork":false,"description":"Traefik router for swarm","allTopics":["cloud"],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-02-23T21:31:03.747Z"}},{"type":"Public","name":"ARPC_InteractiveQC","owner":"mtzgroup","isFork":false,"description":"Material for ARPC article on human interaction with quantum chemistry ","allTopics":["papers-with-code"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-01-11T15:51:04.874Z"}},{"type":"Public","name":"BSIE-GNN","owner":"mtzgroup","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":3,"forksCount":0,"license":"Apache License 2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-12-22T13:24:04.056Z"}},{"type":"Public","name":"ChemPixCH","owner":"mtzgroup","isFork":false,"description":"Recognising hand-drawn molecules with neural networks ","allTopics":["papers-with-code"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":4,"starsCount":29,"forksCount":5,"license":"Apache License 2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-11-05T09:35:22.190Z"}},{"type":"Public","name":"tcpb-cpp","owner":"mtzgroup","isFork":false,"description":"","allTopics":["quantum-chemistry"],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":6,"forksCount":3,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-10-03T18:42:38.383Z"}},{"type":"Public","name":"j-eri-regent","owner":"mtzgroup","isFork":false,"description":"Coulomb (J) matrix build from electron repulsion integrals (ERIs) using Regent","allTopics":["quantum-chemistry","regent"],"primaryLanguage":{"name":"C","color":"#555555"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-07-11T20:18:17.450Z"}},{"type":"Public","name":"retropath-web","owner":"mtzgroup","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"HTML","color":"#e34c26"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-07-02T21:12:08.306Z"}},{"type":"Public","name":"MPI_TCFMS_minimal","owner":"mtzgroup","isFork":false,"description":"Extracted out the mpi communication logic between Terachem (server.cpp) and FMS (client.cpp) for debugging","allTopics":["quantum-chemistry","nonadiabaticdynamics"],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-05-11T22:25:12.826Z"}},{"type":"Public","name":"tinker9_tinkerbox","owner":"mtzgroup","isFork":true,"description":"Tinker9: Next Generation of Tinker with GPU Support","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":26,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-03-27T23:07:42.748Z"}},{"type":"Public","name":"tinker8_tinkerbox","owner":"mtzgroup","isFork":true,"description":"Tinker: Software Tools for Molecular Design","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":61,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-02-09T21:53:23.552Z"}},{"type":"Public","name":"QCEngine","owner":"mtzgroup","isFork":true,"description":"Quantum chemistry program executor and IO standardizer (QCSchema).","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":78,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-05-20T23:18:08.110Z"}},{"type":"Public","name":"ChemVox","owner":"mtzgroup","isFork":false,"description":"This is the python source code of ChemVox (<a href=\"https://www.amazon.com/dp/B08G1C97J5\" rel=\"nofollow\">https://www.amazon.com/dp/B08G1C97J5</a>). 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…","allTopics":["cloud","papers-with-code"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":6,"forksCount":1,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-01-11T01:30:59.383Z"}},{"type":"Public","name":"networkx","owner":"mtzgroup","isFork":true,"description":"Network Analysis in Python","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3185,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-11-07T00:50:38.844Z"}},{"type":"Public","name":"geodesic-interpolate","owner":"mtzgroup","isFork":true,"description":"Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":12,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2018-08-19T19:04:31.169Z"}}],"repositoryCount":25,"userInfo":null,"searchable":true,"definitions":[],"typeFilters":[{"id":"all","text":"All"},{"id":"public","text":"Public"},{"id":"source","text":"Sources"},{"id":"fork","text":"Forks"},{"id":"archived","text":"Archived"},{"id":"template","text":"Templates"}],"compactMode":false},"title":"mtzgroup repositories"}