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timvdm merged 1 commit into from
Jan 25, 2025
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Update README.md #1

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4 changes: 2 additions & 2 deletions README.md
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Expand Up @@ -20,7 +20,7 @@ Kitimar is a container project for CTSmarts providing utilities for development,

## CTSmarts: C++ compile-time SMARTS expressions

`CTSmarts` provides fast compile-time SMARTS expressions with support for matching, counting, mapping and capturing.
`CTSmarts` provides fast compile-time [SMARTS expressions](https://en.wikipedia.org/wiki/SMILES_arbitrary_target_specification) with support for matching, counting, mapping and capturing.

The SMARTS expressions are parsed at compile-time resulting in a minimal amount of assembly code and need for dynamically alocated data structures at run-time.

Expand Down Expand Up @@ -457,7 +457,7 @@ null_bond(mol) -> Bond; // e.g. nullptr, -1, ...
| Util | Utility functions | fmt |
| CTLayout | Compile time serialized data structures | Util, Molecule, mio |
| OpenBabel | Molecule interface for OpenBabel | Molecule, OpenBabel |
| RDKit | Molecule interface for OpenBabel | Molecule, RDKit |
| RDKit | Molecule interface for RDKit | Molecule, RDKit |

## Thanks

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