blackmints / InteractionNetLinks
☆12Updated 5 years ago
Alternatives and similar repositories for InteractionNet
Users that are interested in InteractionNet are comparing it to the libraries listed below
Sorting:
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆16Updated 2 years ago
- ☆14Updated 3 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆29Updated 3 months ago
- ☆28Updated 2 years ago
- ☆46Updated 4 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆16Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆20Updated last week
- SE(3)-equivariant point cloud networks for virtual screening☆11Updated 2 years ago
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Updated 5 years ago
- ☆17Updated last year
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆19Updated 7 months ago
- Open source code for DyScore☆20Updated 2 years ago
- Protein surface topographical mapping tool☆28Updated 2 years ago
- ☆25Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆26Updated 2 months ago
- ☆51Updated 3 months ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- ☆55Updated last year
- Evolutionary algorithm for the optimization of molecular properties.☆58Updated 3 months ago
- Energy minimization post-processing used in PoseBusters☆12Updated 4 months ago
- Open-source protein-based pharmacophore modeling software☆25Updated 6 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆19Updated 9 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 4 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- ☆37Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- Tool to predict water molecules placement and energy in ligand binding sites☆28Updated this week
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆33Updated 5 months ago