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