Update app.py
Browse files
app.py
CHANGED
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@@ -59,7 +59,7 @@ mlb = joblib.load(download_file("data/mlb_597.pkl"))
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GO = mlb.classes_
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# βββββββββββββββββββ UI βββββββββββββββββββ #
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st.title("
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st.markdown(
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"""
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@@ -68,59 +68,64 @@ st.markdown(
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unsafe_allow_html=True,
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)
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fasta_input = st.text_area("Insere
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predict_clicked = st.button("Prever GO terms")
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header = next((l for l in lines if l.startswith(">")), None)
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seq = "".join(l.strip() for l in lines if not l.startswith(">")).replace(" ", "").upper()
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if not
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st.warning("
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st.stop()
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st.
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# mostrar("ProtBERT (MLP)", y_pb)
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# mostrar("ProtBERT-BFD (MLP)", y_bfd)
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# mostrar("ESM-2 (MLP)", y_esm)
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mostrar("Ensemble (Stacking)", y_ens)
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GO = mlb.classes_
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# βββββββββββββββββββ UI βββββββββββββββββββ #
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st.title("PrediΓ§Γ£o de FunΓ§Γ΅es Moleculares de ProteΓnas")
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st.markdown(
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"""
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unsafe_allow_html=True,
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)
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fasta_input = st.text_area("Insere uma ou mais sequΓͺncias FASTA:", height=300)
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predict_clicked = st.button("Prever GO terms")
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# βββββββββββββββββββ PARSE DE MΓLTIPLAS SEQUΓNCIAS βββββββββββββββββββ #
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def parse_fasta_multiple(fasta_str):
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entries = fasta_str.strip().split(">")
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parsed = []
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for entry in entries:
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if not entry.strip():
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continue
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lines = entry.strip().splitlines()
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header = lines[0].strip()
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seq = "".join(l.strip() for l in lines[1:]).replace(" ", "").upper()
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if seq:
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parsed.append((header, seq))
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return parsed
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if predict_clicked:
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parsed_seqs = parse_fasta_multiple(fasta_input)
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if not parsed_seqs:
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st.warning("NΓ£o foi possΓvel encontrar nenhuma sequΓͺncia vΓ‘lida.")
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st.stop()
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for header, seq in parsed_seqs:
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with st.spinner(f"A processar {header}β¦"):
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emb_pb = embed_seq("Rostlab/prot_bert", seq, CHUNK_PB)
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emb_bfd = embed_seq("Rostlab/prot_bert_bfd", seq, CHUNK_PB)
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emb_esm = embed_seq("facebook/esm2_t33_650M_UR50D", seq, CHUNK_ESM)
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y_pb = mlp_pb.predict(emb_pb)
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y_bfd = mlp_bfd.predict(emb_bfd)
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y_esm = mlp_esm.predict(emb_esm)[:, :597]
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X = np.concatenate([y_pb, y_bfd, y_esm], axis=1)
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y_ens = stacking.predict(X)
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# βββββββββββββββββββ RESULTADOS βββββββββββββββββββ #
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def mostrar(tag, y_pred):
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with st.expander(tag, expanded=True):
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hits = mlb.inverse_transform((y_pred >= THRESH).astype(int))[0]
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st.markdown(f"**GO terms com prob β₯ {THRESH}**")
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if hits:
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for go_id in hits:
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name, defin = GO_INFO.get(go_id, ("β sem nome β", "β sem definiΓ§Γ£o β"))
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st.write(f"**{go_id} β {name}**")
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st.caption(defin)
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else:
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st.code("β nenhum β")
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st.markdown(f"**Top {TOP_N} GO terms mais provΓ‘veis**")
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for idx in np.argsort(-y_pred[0])[:TOP_N]:
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go_id = GO[idx]
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name, _ = GO_INFO.get(go_id, ("", ""))
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st.write(f"{go_id} β {name} : {y_pred[0][idx]:.4f}")
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# βββββββββββββββββββ ESCOLHE QUAIS MOSTRAR βββββββββββββββββββ #
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# mostrar(f"{header} β ProtBERT (MLP)", y_pb)
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# mostrar(f"{header} β ProtBERT-BFD (MLP)", y_bfd)
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# mostrar(f"{header} β ESM-2 (MLP)", y_esm)
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mostrar(f"{header}", y_ens)
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