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_spec
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40a4211e75
fix CIF text encoder edge cases & added test
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4 年之前 |
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cif
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7384bebf4e
Fix some cyclic imports & reduce const enum usage (#680)
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2 年之前 |
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mol
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fb2f22f120
Merge remote-tracking branch 'upstream/master'
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3 年之前 |
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mol2
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f1fbdeaca0
handle missing atoms (ignore hydrogen, fail for heavy)
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3 年之前 |
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cif.ts
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6c5224f33e
new linting rules
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4 年之前 |
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encoder.ts
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6c5224f33e
new linting rules
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4 年之前 |
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ligand-encoder.ts
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0b7a6e3375
cleanup
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3 年之前 |
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mol.ts
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e39c7c4e98
move encoders to mol-io
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5 年之前 |
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mol2.ts
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e39c7c4e98
move encoders to mol-io
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5 年之前 |
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sdf.ts
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e39c7c4e98
move encoders to mol-io
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5 年之前 |
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writer.ts
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6c5224f33e
new linting rules
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4 年之前 |
David Sehnal
7384bebf4e
Fix some cyclic imports & reduce const enum usage (#680)