antwiser / ChemFH

Utilizing high-quality database and Directed Message Passing Neural Network (DMPNN) architectures, ChemFH enhances the efficiency of drug R&D by achieving reliable detection of frequent hitters in colloidal aggregate, firefly luciferase reporter enzyme inhibition, fluorescence, chemical reactivity, and promiscuity.
MIT License
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Issue connecting via API #1

Open Tonylac77 opened 4 weeks ago

Tonylac77 commented 4 weeks ago

Hi,

I was very excited to use your work, however, the API call does not seem to be working.

I get the following error : ConnectionError: HTTPConnectionPool(host='121.40.210.46', port=8110): Max retries exceeded with url: /api/fh (Caused by NewConnectionError('<urllib3.connection.HTTPConnection object at 0x7fe5da1635e0>: Failed to establish a new connection: [Errno 111] Connection refused'))

Here's the code I am using :

def query_chemfh(df: pd.DataFrame):
    url = "http://121.40.210.46:8110/api/fh"
    n = 2000

    param = {'SMILES': []}
    smiles_list = df['SMILES'].tolist()
    data = {"SMILES": smiles_list}

    for _, sublist in enumerate(divide_list(smiles_list, n)):
        param['SMILES'] = sublist

        response = requests.post(url, json=param)

        if response.status_code == 200:
            data = response.json()['data']
            result = transform(data)
            return result

I tried pinging the server and that seems to work.

Using curl :

curl -X POST http://121.40.210.46:8110/api/admet -H "Content-Type: application/json" -d '{"SMILES": ["C"]}'

gives

curl: (7) Failed to connect to 121.40.210.46 port 8110 after 257 ms: Connection refused

If you could please advise on the best course of action, I'd be grateful

antwiser commented 1 week ago

Dear Antoine,

Thank you for reaching out and bringing this issue to our attention.

We apologize for the inconvenience you are experiencing with the ChemFH webserver. Currently, we are in the process of maintaining and updating the server to enhance its performance. Unfortunately, our server is not equipped to handle a high volume of API requests at this time and has also been subjected to unidentified attacks, which have further impacted its stability.

We appreciate your understanding and patience while we work on these improvements. We will notify you as soon as the server is back up and running smoothly.

Kind regards,

Jiacai Yi

2024-06-06 05:01:30 "Antoine Lacour" @.***> 写道:

Hi,

I was very excited to use your work, however, the API call does not seem to be working.

I get the following error : ConnectionError: HTTPConnectionPool(host='121.40.210.46', port=8110): Max retries exceeded with url: /api/fh (Caused by NewConnectionError('<urllib3.connection.HTTPConnection object at 0x7fe5da1635e0>: Failed to establish a new connection: [Errno 111] Connection refused'))

Here's the code I am using :

def query_chemfh(df: pd.DataFrame): url = "http://121.40.210.46:8110/api/fh" n = 2000

param = {'SMILES': []}
smiles_list = df['SMILES'].tolist()
data = {"SMILES": smiles_list}

for _, sublist in enumerate(divide_list(smiles_list, n)):
    param['SMILES'] = sublist

    response = requests.post(url, json=param)

    if response.status_code == 200:
        data = response.json()['data']
        result = transform(data)
        return result

I tried pinging the server and that seems to work.

Using curl :

curl -X POST http://121.40.210.46:8110/api/admet -H "Content-Type: application/json" -d '{"SMILES": ["C"]}'

gives

curl: (7) Failed to connect to 121.40.210.46 port 8110 after 257 ms: Connection refused

If you could please advise on the best course of action, I'd be grateful

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