2025

2025년에 작성된 소중한 기록들입니다.

Sep 22, 2025 ChEMBL Database 설치 및 PostgreSQL 복원 가이드
Aug 19, 2025 RxnFlow: Generative Flows on Synthetic Pathway for Drug Design
Aug 12, 2025 RGFN: Synthesizable Molecular Generation Using GFlowNets
Aug 05, 2025 Multi-Objective GFlowNets
Jul 29, 2025 GFlowNet: Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation
Jul 23, 2025 SPARROW: An algorithmic framework for synthetic cost-aware decision making in molecular design
Jul 15, 2025 Syn-MolOpt: A Synthesis Planning-Driven Molecular Optimization Method Using Data-Derived Functional Reaction Templates
Jul 08, 2025 Amortized Tree Generation for Bottom-Up Synthesis Planning and Synthesizable Molecular Design
Apr 18, 2025 InChIKey를 이용한 동일 분자구조 비교
Apr 11, 2025 RDKit 기초
Apr 10, 2025 Ubuntu 하드웨어 모니터링: CPU, GPU, RAM, Disk 상태 확인 및 실시간 점검 가이드
Apr 04, 2025 SMILES 표기법
Apr 03, 2025 PyTorch 입문: CPU vs GPU 버전 차이와 CUDA 가능 여부 확인하기
Mar 31, 2025 리눅스 명령어 정리
Mar 21, 2025 SSH 접속 후 Jupyter 사용하기
Mar 20, 2025 environment.yml & requirements.txt 사용법
Mar 19, 2025 Conda 가상환경에 라이브러리 설치
Mar 18, 2025 Ubuntu에서 Miniconda 설치
Feb 21, 2025 Mothra: Multi-objective de novo Molecular Generation Using Monte Carlo Tree Search
Feb 13, 2025 ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization
Feb 07, 2025 Multi-objective latent space optimization of generative molecular design models