Niksa Praljak
commited on
Commit
·
b18f47c
1
Parent(s):
c865888
Add information on ProteoScribe instructions
Browse files
README.md
CHANGED
@@ -269,19 +269,82 @@ The facilitated embeddings are saved to the specified output_data_path for furth
|
|
269 |
|
270 |
## Stage 3: ProteoScribe
|
271 |
|
272 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
273 |
|
274 |
-
This stage will contain scripts and models for the ProteoScribe process. Check back for:
|
275 |
-
- Configuration files
|
276 |
-
- Model weights
|
277 |
-
- Running instructions
|
278 |
-
- Output examples
|
279 |
|
280 |
## Support
|
281 |
|
282 |
For questions or issues:
|
283 |
- Open an issue in this repository
|
284 |
-
- Contact:
|
285 |
|
286 |
---
|
287 |
Repository maintained by the BioM3 Team
|
|
|
269 |
|
270 |
## Stage 3: ProteoScribe
|
271 |
|
272 |
+
[Previous sections remain the same...]
|
273 |
+
|
274 |
+
### Expected Output
|
275 |
+
|
276 |
+
The script generates multiple sequence variants for each input embedding. Here's the sample output showing different replicas:
|
277 |
+
[Previous sections remain the same...]
|
278 |
+
|
279 |
+
## Stage 3: ProteoScribe
|
280 |
+
|
281 |
+
### Overview
|
282 |
+
|
283 |
+
In this stage, the **ProteoScribe model** takes the facilitated embeddings (z_c) from Stage 2 and generates novel protein sequences that match the desired functional description. The model outputs multiple sequence variants (replicas) for each input embedding.
|
284 |
+
|
285 |
+
### Model Weights
|
286 |
+
|
287 |
+
Before running the model, ensure you have:
|
288 |
+
- Configuration file: `stage3_config.json`
|
289 |
+
- Pre-trained weights: `BioM3_ProteoScribe_pfam_epoch20_v1.bin`
|
290 |
+
|
291 |
+
### Running ProteoScribe
|
292 |
+
|
293 |
+
Run the sequence generation:
|
294 |
+
```bash
|
295 |
+
python run_ProteoScribe_sample.py \
|
296 |
+
--json_path "./stage3_config.json" \
|
297 |
+
--model_path "./weights/ProteoScribe/BioM3_ProteoScribe_pfam_epoch20_v1.bin" \
|
298 |
+
--input_path "test_Facilitator_embeddings.pt" \
|
299 |
+
--output_path "test_ProteoScribe_samples.pt"
|
300 |
+
```
|
301 |
+
|
302 |
+
### Expected Output
|
303 |
+
|
304 |
+
The script generates multiple sequence variants for each input embedding. Here's a sample output showing different replicas:
|
305 |
+
|
306 |
+
**Replica 0:**
|
307 |
+
|
308 |
+
Prompt 1 (Translation initiation factor):
|
309 |
+
- <span style="color:purple">TAKEDWLEMQNTVLETLPNTMFRVELENGHVITAAISGGMRKNYIRILTGDKAKVELTPYDLSKGRICFRAK</span>
|
310 |
+
|
311 |
+
Prompt 2 (Peptidyl-tRNA hydrolase):
|
312 |
+
- <span style="color:purple">MSLIIGLLGNEKKYEFTRHRGVVFISDIANPFYDEFKETIGSVKTGHGFVEDGNYVIKFLVLTIPNRFSIERSARAVQDFYPDLDKVIIYIDDLPFKGGVRLSLHGGDHGNDNLVNGIADKSIGMGIDRRVIRVPEPMVVEVLWHPVFYVFDRFALEIKEIPKLMDILVEKAKELLFDVNKAYFEVL</span>
|
313 |
+
|
314 |
+
Prompt 3 (tRNA-ribosyltransferase):
|
315 |
+
- <span style="color:purple">MSKGPVHFVNVQEEAHTGRLLGAIVETEHGTPPVMYNPSLYSYTNPEPAMQDRLQDASNILLYNTYLWHGPDRCVILQSRGHLNKMNDKPYLILDSGGFMQIMLLSRRIGEFYVHETFHPHKTLSFLSPERVANIQMDLDTTVFDIMDNCPEKPYKYIEESVRLSDRWTTALSDRPDYGRRDQALFGIVGEAQFEDLRERSIEFGLDWAFDGYAIGGLSVGQPPEEMENVINYTKQVPEKLPRTLYNVSGTQLSDDIIGIARVGDMFDCVLPTRIARNGTFLTGQRNVKFAKASRDFNPPIDCKTCDCYTCQNYIRHVLHSGERLGFDGTIIHTIYLFDNLMALMKEAIQKDRKPYFEQHFAEDLSR</span>
|
316 |
+
|
317 |
+
Prompt 4 (Chaperonin GroEL):
|
318 |
+
- <span style="color:purple">MAAKDVKFGNEARVRMLRGVNTLADAVKTTLGPKGRNVVLEKSFGSPTITKDGVSVAREIELDDKFETMGAQMVKEVASKANDKAGDGTTTATVLAQSIITEGLKAVASGMNPMDLKRGIDKAVAAAVENLKTMKVPASDSKAIAQVGTISANSDETIGKLEADAMDKVGKDGVITVEEGQGLKDELDVVEGMQFDRGYLSPYFINKPDSGAVELESPFILLVDKKISNIRELMPVLEAVAKSSKPLLIIAEDVEGEALATLVVNTMRGIIKIAAVKAPGFTHRRKEMLQDIATLTAGTVISEQIDIELEKATLNDLGQAKRIVINKDTATIVDGAGDVADISSRVHQIRANVEEATSDYDREKLQERLAKLSGGVAVIKVGAGTEVEMKEKKARVEDALHQTRAATEEGVVAGGGVALIRAASKLAAVRPNSANDALEGIERVLAKELLPQQIALDGVGVSPNKATAIIANGVGGYAAANYEYGLVDKLEQVGDAPTKVVRAIVSDAMGSAMGAETIVVDAMGEAQA</span>
|
319 |
+
|
320 |
+
Prompt 5 (Chaperone DnaK):
|
321 |
+
- <span style="color:purple">MSTLKTVPLGCFNFQYTWNELNKIDTTISACFEEATSREIKETATDKQVLYEMRKHLCCTTDAHIGPPSVKGIHSPNKVTFGQRYCAQSGVEAFAGKEDIGKLKLVDVAGEGKPHALQLGSYAVIRVINQQALDDWLPVQEFDRVGKKIAGETNIMFDDLDFALNDWKVTENTQLRGGREGRNEITSLPLGLQWNLIEDQFFKHECDADNTILDEARLSAGWTKIAVFGIGASGVAHIIRVMSGAGLEMKSARLVGPRLCARIRQIVEEAKKNGILNARNISCAYEFAVCPFLCSISLDSKTRLDVEDLQPPLLKKFEEEIVKILEGAGKTLDKLDSVELIGFGMRVPIIRELIKFIFEAPTAAPNLFGDETIAKPKIALTHILIIKHYLKPRSRHKVKLYDNVSFWAELDVQGEDDIIVVNHAKSTVKVVLDDVKGVSFLENAKGINPSILILKLRNGEPKYDTTSDIVFRGFADDDTVPEEGLPDDCAKLKCLGLESPTYRVAEKTIDEGLKPEENEAKELIIKENKGSSSGESGVTNSSDVTEPDQLALDPANPSMDKTGSEERQNGVDEQMKNALTSNTGVSSGNGKLQELVELTEAAYTKRQIIEEEDGRSLLIQCTVICLEAKKKDRTLYDDEYGEGPYGEWPAVLAQRKAMSYQDECEAEFLEWFPSKSIKIKVVDRKMGADKDLKALSVEDAVSAEQATGQPLIESVLRKDDEKESE</span>
|
322 |
+
|
323 |
+
**Replica 4:**
|
324 |
+
|
325 |
+
Prompt 1 (Translation initiation factor):
|
326 |
+
- <span style="color:purple">MAKEDCLEMQGTVLETLPNTMFRVELENGHVILAAISGKMRKNYIRILTGDKVKVDMTPYDLSKGRIVFRAK</span>
|
327 |
+
|
328 |
+
Prompt 2 (Peptidyl-tRNA hydrolase):
|
329 |
+
- <span style="color:purple">MKLIVGLGTNSDKNRPTRNTNVGFFYLDDLKSITPVQIKAKFNGLTRCGPKADEHVLIVDVKTPMNKNGNEQSMKFTDYFGPVDYISLVVIHDDVQIIDGKDKPFKVGKYRGPHLGIANILALIKSGRVRIVVSNLPKKGNHVINGVVGIDMDDWLNLVQDFKENNGLIFICGGSARHGVINRLKKKDGLFEAPDCFSEKLEEKMRKCDGDPAITLDPFEAVQF</span>
|
330 |
+
|
331 |
+
Prompt 3 (tRNA-ribosyltransferase):
|
332 |
+
- <span style="color:purple">MVNKPVRAVKIKTTKPVGKYIGSIVVPAGTFPMPPFMVPEITPTCKEKTPALIQLATSIGDIYTLHSWIRQAGNMIDHGELHMKKFMNWKALVTDSGGFFMVLSLRYHVDYGFHFQTNGSHFPLSSMFMSDSIIASIQAGMDNFGADIVFDWPYPAQTYEYMMNSLEWTDRCRRALGELIKATDKPHLKNFGYVQIGGIHVLRSEQSLRVLTLRDDSLFGVGVMGESKPYQNDFLWQVIPKTLPYNPLRYGRPMQAIERSIDAGIRMFDCIDPTLPPRLIATTGCHMTSREGRSVVSNRDYDRSFSPLDPKCDCYHCRGYIRCYVNHLFKAKEILGLPLWSDNTVYSLRDMIDRVQHFTVDGLKMEDLHNLFKGFVSEFRHHSAEKKGSE</span>
|
333 |
+
|
334 |
+
Prompt 4 (Chaperonin GroEL):
|
335 |
+
- <span style="color:purple">MAAKEVKFGNDARVKMLRGVNTLADAVKVTLGPKGRNVVLDKSFGAPTITKDGVSVAKEIELKDKFENMGAQMVKEIANKANDLAGDGTTTATVLAQSIINEGLKAVAAGMNPMDLKRGIDKAVIAAVANLKTLSVPCSDSKAIAQVATISANSVETVGKLKAEAMDKVGKEGVITVEEGSGLQDELDVVEGMQFDRGYLSPYFINKPDSGALELESPFILLVDKKISNIRELLAVLEAVAKSGKPLLIIAEDVEGEALATLVVNTMRGIVKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLSELGQAKRVVINKDTTTIIDGGGEEAQIRLRVAQIQAQIEDASSDYDKEKLQERVAKLSGGVAVIKVGAATEVEMKEKKARVEDALHATRACIEEGVVAGGGVALIRVAKKFADLQGSNEDQNVGVKVALRAMEAPLRQIVLNMGEEPSVVANTVKAGEGNYGYNAASGEYGDMIEYGILDPTKVTRSTLQYAASVAGLMITTEAMVAEMEPKD</span>
|
336 |
+
|
337 |
+
Prompt 5 (Chaperone DnaK):
|
338 |
+
- <span style="color:purple">MMNGTKKLNSWQIGAPGAFKDSGILPVVINRYQNTPTSAIVQAYRTERGIAAKSRNALKNPSSCFDIFRYDLKKVGRFNGEKNLVDYDTLPFVIAICYTKIKAEAEDYLGREIDEILVIPPMYFVSYKGRVVKKIKDKADVDVNRIIAEPSAAAIAYGLDSSNNAEMIVYDYGGGSIDVSIVEATENNDKYRAVEFDMGKSGLNNVLRKDARVRGKRDRDSSDPTYIALYNSGLALQEKVEEGVEIDEVNQDSLPLNNKNAIGMRKEKIELRRTTFSSLAKDLLEKTKEPMKKAFKEAGLTHEEVGEIVLVGGDMKIPAVVARVQETFQKTLLNLALDPEVVSLGSAIQGLVLYGNQIYINEDRLKPYVIPDGLNFNPDPDLSENLFIPRKSTILEGVFMGNLTAPIVHSFEPYSKEFPLGPNNGLLNLKLKSFIEFSTINENSVPPTTKDKFIGLCNDLSMSNARYKDAEPTDEKKHEENIVVEDEHSDSQAQLLQGREKIQKKCILNEEKKEKVKTELKKLESLVNPELRSKMTADEISGCLAKSKNALEKFQRKMTPKPEDGDEKRDFLKTKNSDNTEYFTFES</span>
|
339 |
+
|
340 |
+
Each replica represents a different possible sequence design that maintains the desired functional properties specified in the input text description. The different replicas allow for exploration of sequence diversity while preserving the intended functionality.
|
341 |
|
|
|
|
|
|
|
|
|
|
|
342 |
|
343 |
## Support
|
344 |
|
345 |
For questions or issues:
|
346 |
- Open an issue in this repository
|
347 |
+
- Contact: [email protected]
|
348 |
|
349 |
---
|
350 |
Repository maintained by the BioM3 Team
|