Alternatives and similar repositories for training_notebooks

Users that are interested in training_notebooks are comparing it to the libraries listed below

• PROTACs / PROTAC-STAN
  Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework
  ☆12Updated last week
• mabdelmaksoud53 / Colab_NAMD_Suite
  Welcome to Colab_NAMD_suit, your gateway to running MD simulations!
  ☆16Updated last year
• pb3lab / workshops
  Workshops on Computational Biology organized by our lab
  ☆10Updated last year
• MunibaFaiza / cheminformatics
  Perform operations on chemical structures using Python.
  ☆13Updated 2 years ago
• volkamerlab / ai_in_medicine
  ☆37Updated 3 years ago
• chaninlab / estrogen-receptor-alpha-qsar
  Repository of codes and data for Estrogen Receptor Alpha QSAR modeling
  ☆18Updated 7 years ago
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• RyanZR / labodock
  LABODOCK: A Colab-Based Molecular Docking Tools
  ☆50Updated 8 months ago
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆59Updated 2 months ago
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆27Updated 4 years ago
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆20Updated last month
• MatthijsHak / MetalDock
  Dock organometallic compounds to proteins/DNA/biomolecules
  ☆17Updated 4 months ago
• XinhaoLi74 / Hierarchical-QSAR-Modeling
  ☆31Updated 5 years ago
• GouldGroup / MFBERT
  This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.
  ☆12Updated 3 years ago
• docking-org / pydock3
  Python package wrapping the DOCK Fortran program and providing several tools built on top of it.
  ☆14Updated last month
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆32Updated 5 years ago
• mqcomplab / iCliff
  Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways
  ☆13Updated 5 months ago
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆27Updated 2 months ago
• jamesgleave / DeepDockingGUI
  ☆37Updated 3 years ago
• pnnl / solubility-prediction-paper
  ☆15Updated 3 years ago
• martin-sicho / genui
  The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…
  ☆34Updated 7 months ago
• elvismartis / smile2dock
  Smile2dock is a one stop molecular converter for docking programs
  ☆19Updated 3 months ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated last year
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated 3 years ago
• OliverBScott / align-it
  Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)
  ☆14Updated 3 years ago
• JanainaCruz / DeepVS
  Boosting Docking-Based Virtual Screening with Deep Learning
  ☆32Updated 5 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• janash / iqb-2024
  Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking
  ☆71Updated 9 months ago
• lowkc / solv_gnn
  GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL
  ☆12Updated 3 years ago