OpenSourceMycetoma / Series-1-FenarimolsLinks
Open Source Mycetoma's First Series of Molecules
☆10Updated 3 months ago
Alternatives and similar repositories for Series-1-Fenarimols
Users that are interested in Series-1-Fenarimols are comparing it to the libraries listed below
Sorting:
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Updated 2 years ago
- ☆13Updated 4 years ago
- Metal Activity Heuristic of Metalloprotein and Enzymatic Sites (MAHOMES) - Predicts if a protein bound metal ion is enzymatic or non-enzy…☆11Updated 3 years ago
- ☆11Updated 6 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Updated 5 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Shape-based alignment of molecules using 3D point-based representation☆22Updated last year
- Re-scoring a set of docked ligands with off-the-shelf algorithms to assess utility in virtual screening☆11Updated 4 years ago
- ☆15Updated 3 years ago
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆14Updated 9 months ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆16Updated 2 years ago
- ☆13Updated last year
- Workshops on Computational Biology organized by our lab☆10Updated last year
- ☆28Updated last year
- Python API for Pharmer☆12Updated 6 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 8 months ago
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆24Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆20Updated 3 months ago
- ☆22Updated 11 months ago
- ErtlFunctionalGroupsFinder for CDK☆18Updated 2 years ago
- Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…☆24Updated last year
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆19Updated 2 years ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆38Updated last year
- ☆16Updated 4 years ago
- Official repository for multitask deep learning models.☆20Updated 5 years ago
- ☆20Updated 4 years ago
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Updated 3 years ago
- ☆19Updated last year
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆35Updated 4 years ago