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UmarZein / baseline.c
Created February 28, 2025 12:40
proj
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#include <time.h>
int bernoulli_sample(double p) {
return ((double) rand() / RAND_MAX) < p ? 1 : 0;
}
const double SECOND_SCALE=1000000000;
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UmarZein / catatan_dd.txt
Created December 5, 2024 06:02
Catatan Drug Discovery
libraries:
-torchdrug
-deepchem
*) pytorch lebih stabil dan reliable daripada tensorflow, biasanya
*) ada 2 approach terhadap NN-based drug design: SMILES-based dan graph-based dimana molekulnya dimodelkan sebagai graph.
BioAssays of GLP-1: https://pubchem.ncbi.nlm.nih.gov/gene/2740#section=BioAssays
@UmarZein
UmarZein / New Chat 11.md
Created December 5, 2024 04:35
chatgpt_consultation

user:

Based on these objective statements:

General Objective The overarching goal of this project is to develop a comprehensive, efficient, and scalable data infrastructure tailored for the pharmaceutical industry. This system aims to leverage advanced technologies such as graph databases, distributed computing, and real-time data streaming to enhance drug discovery, optimize clinical processes, and support data-driven decision-making. The project also seeks to foster greater collaboration within the pharmaceutical ecosystem and improve data accessibility and analysis capabilities.

Specific Objective Data Integration and Management:

@UmarZein
UmarZein / main.ipynb
Created November 27, 2024 02:50
MolGAN run 10 epochs
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UmarZein / finetune_gcpn.ipynb
Created August 15, 2024 00:52
finetune_gcpn
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UmarZein / testing_gcpn_250k_mar25-Copy1.ipynb
Created August 15, 2024 00:51
testing_gcpn_250k_mar25-Copy1
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