Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, several modifications are introduced to PUResNet program. The pose sampling part is similar as AutoDock Vina combined with a number of modifications. This ...
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mingw-w64-dsdp mingw-w64-ducible mingw-w64-dumb mingw-w64-dwarfstack mingw-w64-eccodes mingw-w64-ecpprog mingw-w64-editorconfig-core-c mingw-w64-editrights mingw-w64-eigen3 mingw-w64-elementary-icon-theme mingw-w64-emacs mingw-w64-embree mingw-w64-enca mingw-w64...
arXiv preprint arXiv:2301.00984 (2023)DSDP: A Blind Docking Strategy Accelerated by GPUs Huang, Yupeng et al Journal of chemical information and modeling (2023)Equivariant Flexible Modeling of the Protein-Ligand Binding Pose with Geometric Deep Learning Dong, Tiejun et al Journal of chemical theory...
DSDP DSDP License Dotseqn Dotseqn License ECL-1.0 Educational Community License v1.0 ECL-2.0 Educational Community License v2.0 EFL-1.0 Eiffel Forum License v1.0 EFL-2.0 Eiffel Forum License v2.0 EPICS EPICS Open License EPL-1.0 Eclipse Public License 1.0 EPL-2.0 Eclipse Public License 2.0 EUDat...
hCNN: Hybrid Neural Network (Hybrid-NN), a MATLAB NN toolbox that supports complex valued data and insertion of Signal Processing Modules. MATLAB105 cv_chncv_chnPublic My personal CV HTML pzhg.github.iopzhg.github.ioPublic Forked fromacademicpages/academicpages.github.io ...
* dsdp-interface, Interface to the interior point SDP solver DSDP. * clang-interface, Interface to the Clang JIT compiler. * qpoases-interface, Interface to the active-set QP solver qpOASES. * blocksqp-interface, Interface to the NLP solver blockSQP. * cplex-interface, Interface to the QP ...
For BLS, DSDP, RUN-CSP and PI-GNN, we directly use the results presented in the referenced papers since their performance is highly dependent on the implementation. GraphNodesEdgesMCPGBLSDSDPRUN-CSPPI-GNNEOEMADM G14 800 4,694 3,064 3,064 2,922 2,943 3,026 3047 3045 G15 800 4,661...
mingw-w64-dsdp mingw-w64-ducible mingw-w64-dumb mingw-w64-dwarfstack mingw-w64-eccodes mingw-w64-ecpprog mingw-w64-editorconfig-core-c mingw-w64-editrights mingw-w64-eigen3 mingw-w64-emacs mingw-w64-embree mingw-w64-enca ...
mingw-w64-dsdp drop 32bit environments from some scientific packages Dec 10, 2023 mingw-w64-dtc mingw-w64-dtc More CPEs Mar 28, 2024 mingw-w64-ducible mingw-w64-ducible ducible: rebuild Dec 18, 2023 mingw-w64-duckdb mingw-w64-duckdb duckdb: Fix import prefix path relocation in cmak...