dataprofessor / solubility-app

Related projects ⓘ

Alternatives and complementary repositories for solubility-app

• dataprofessor / drugdiscovery
  ☆19Updated 2 years ago
• TheBiomics / Molecular-Dynamics
  ☆19Updated 8 months ago
• UCL / Open_Docking_Lab_Handbook
  A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.
  ☆22Updated 2 years ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆32Updated 11 months ago
• bio-hpc / metascreener
  Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.
  ☆24Updated 3 months ago
• dataprofessor / peptide-ml
  ☆26Updated 3 years ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆22Updated 2 years ago
• purnawanpp / Docking-4ieh
  Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3
  ☆26Updated 2 months ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆27Updated last month
• jivankandel / PUResNetV2.0
  Prediction of ligand binding site
  ☆12Updated 5 months ago
• chaninlab / estrogen-receptor-alpha-qsar
  Repository of codes and data for Estrogen Receptor Alpha QSAR modeling
  ☆18Updated 6 years ago
• porekhov / CG_probeMD
  a pipeline for running MD simulations in the presence of probe molecules for druggability assessment
  ☆12Updated 8 months ago
• PatWalters / practicalcheminformatics
  ☆27Updated 3 years ago
• volkamerlab / ai_in_medicine
  ☆33Updated 2 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 3 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆23Updated 2 years ago
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆24Updated 3 years ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 2 years ago
• bioinfkaustin / gromacs-on-colab
  Google Colab notebooks for running molecular dynamics simulations with GROMACS
  ☆27Updated last year
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 3 years ago
• harry-maan / gmx_qk
  ☆20Updated last year
• iwatobipen / chemo_info
  ☆32Updated 3 years ago
• Xundrug / AA-Score-Tool
  a tool for protein-ligand binding affinity prediction
  ☆34Updated last year
• tevang / tutorials
  Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.
  ☆33Updated 3 years ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆61Updated 2 years ago
• jp43 / DockBox
  Python package to facilitate the use of popular docking software
  ☆15Updated last year
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆52Updated last year
• Zuttergutao / GMXAnalysis
  For the purpose of post progressing of MD carried by gromacs
  ☆17Updated 7 months ago
• mungpeter / Structure-Based_docking
  Scripts to do docking, single virtual screening, and etc.
  ☆15Updated 11 months ago
• rasbt / BondPack
  A collection of PyMOL plugins to visualize atomic bonds.
  ☆20Updated 4 years ago