Closed tszslovewanpu closed 7 months ago
Hi,
Thank you! 3、And how about MolGen 7B generate molecules? Is there any prompt gives to the trained model to start the generation process? 4、Does MolGen 7B designed for the 'generation from scratch' mission (generation and estimate the whole distribution, compare the distribution with the trainingset) or it can also complete the optimization mission? Again thanks very much!
Denovo molecule generation example:
from transformers import AutoTokenizer, LlamaForCausalLM
import torch
tokenizer = AutoTokenizer.from_pretrained("zjunlp/MolGen-7b")
model = LlamaForCausalLM.from_pretrained(
device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
sf_input = tokenizer(tokenizer.bos_token, return_tensors="pt").to(device)
molecules = model.generate(input_ids=sf_input["input_ids"],
sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
Molecular completion example:
from transformers import AutoTokenizer, LlamaForCausalLM
import torch
tokenizer = AutoTokenizer.from_pretrained("zjunlp/MolGen-7b")
model = LlamaForCausalLM.from_pretrained(
device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
sf_input = tokenizer("[C][N][O]", return_tensors="pt").to(device)
molecules = model.generate(input_ids=sf_input["input_ids"],
sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
Got it!
Hello, and great job! 1、When generating the 10K molecules in Table 1、Table2, or Table3, should we input some molecules, are they from the ZINK250K or MOSES? 2、MOLGEN can generate better molecules when gives the inputs, so the generation process is actually an optimization process, am i right? Thank you very much!