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GitHub topics: transition-state

npe1011/xtboptts

GUI tool for transition state (saddle point) optimization wiht XTB and geomeTRIC.

Language: Python - Size: 43 KB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 0 - Forks: 0

basf/precomplex_generator

The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) based on single-ended reaction path optimization algorithms.

Language: Python - Size: 778 KB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 5 - Forks: 4

MicroBeaut/Finite-State

Finite-State Machine (FSM) for Arduino

Language: C++ - Size: 696 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 4 - Forks: 0

Related Keywords
transition-state 3 quantum-chemistry 2 timed-finite-state-machines 1 tfsm 1 state-transition 1 state-management 1 state-machine 1 fsm 1 fsa 1 finite-state-machine-for-arduino 1 finite-state-machine 1 finite-state-automaton 1 finite-state 1 finite-automaton 1 dfsm 1 dfsa 1 dfa 1 deterministic-finite-state-machine 1 deterministic-finite-state-automaton 1 deterministic-finite-automaton 1 arduino 1 reaction-network 1 reaction-mechanism 1 xtb 1 geometric 1 chemistry 1