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_spec
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fb0634a0f4
added semicolons to linting rules
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vor 5 Jahren |
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cif
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05c35a3a3a
mol-model: cif export copyAllCategories option
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vor 5 Jahren |
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mol
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48d0418f0e
mol writing with inline charges and chiral flag
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vor 5 Jahren |
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mol2
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48d0418f0e
mol writing with inline charges and chiral flag
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vor 5 Jahren |
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cif.ts
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fb0634a0f4
added semicolons to linting rules
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vor 5 Jahren |
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encoder.ts
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fb0634a0f4
added semicolons to linting rules
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vor 5 Jahren |
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ligand-encoder.ts
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48d0418f0e
mol writing with inline charges and chiral flag
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vor 5 Jahren |
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mol.ts
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e39c7c4e98
move encoders to mol-io
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vor 5 Jahren |
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mol2.ts
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e39c7c4e98
move encoders to mol-io
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vor 5 Jahren |
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sdf.ts
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e39c7c4e98
move encoders to mol-io
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vor 5 Jahren |
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writer.ts
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fb0634a0f4
added semicolons to linting rules
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vor 5 Jahren |
JonStargaryen
48d0418f0e
mol writing with inline charges and chiral flag