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MolSys-AI

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Class Forms
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- OpenMM
  - AmberInpcrdFile
  - AmberPrmtopFile
  - CharmmCrdFile
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- ParmEd
  - GromacsTopologyFile
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  - Trajectory
- Biopython
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- RDKit
  - Mol
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File Forms
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- crd
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- inpcrd
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- mol2
- molsys_yaml
- pdb
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- structures_yaml
- top
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- trjpk
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- xyz
- xyznpy
String Forms
- alphafold_id
- amino_acids_1
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- pdb_id
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- smiles
- uniprot_id
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RDKit

RDKit#

Form adapters for RDKit in-memory classes and objects.

Class	Description
Mol	Form adapter for `Mol`

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Mol

© 2026, Liliana M. Moreno Vargas, Diego Prada Gracia and contributors | UIBCDF Lab at the Federico Gómez Children’s Hospital of Mexico
MolSysMT is an open source project shared under an MIT license

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