transition-state

Here are 3 public repositories matching this topic...

MicroBeaut / Finite-State

Finite-State Machine (FSM) for Arduino

arduino state-management fsm state-machine finite-state-machine state-transition dfa fsa finite-state-automaton finite-state dfsa deterministic-finite-automaton finite-automaton transition-state tfsm finite-state-machine-for-arduino deterministic-finite-state-machine dfsm deterministic-finite-state-automaton timed-finite-state-machines

Updated Sep 30, 2023
C++

basf / precomplex_generator

Star

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.

quantum-chemistry reaction-network reaction-mechanism transition-state

Updated Oct 9, 2024
Python

npe1011 / xtboptts

Star

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

chemistry quantum-chemistry geometric xtb transition-state

Updated Sep 11, 2024
Python

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