OpenSourceMycetoma / Series-1-FenarimolsLinks
Open Source Mycetoma's First Series of Molecules
☆10Updated 2 years 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:
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆15Updated last year
- ☆12Updated 4 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
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Updated 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…☆21Updated last year
- ☆12Updated 6 years ago
- Workshops on Computational Biology organized by our lab☆10Updated last year
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- ☆12Updated last year
- ☆9Updated 3 years ago
- Blood–Brain Barrier Penetration Prediction Enhanced by Uncertainty Estimation☆11Updated 3 years ago
- ☆17Updated 2 years ago
- ☆20Updated 4 years ago
- ☆19Updated 7 months ago
- ☆14Updated 3 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 4 months ago
- ☆14Updated 3 years ago
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆15Updated 4 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆19Updated 7 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆34Updated 4 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Shape-based alignment of molecules using 3D point-based representation☆21Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆16Updated last year
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆19Updated 2 years ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆14Updated 2 years ago
- ☆27Updated 3 years ago
- Python API for Pharmer☆12Updated 6 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆11Updated 7 years ago