☆21Mar 14, 2023Updated 3 years ago
Alternatives and similar repositories for torsional-strain
Users that are interested in torsional-strain are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆41Mar 13, 2023Updated 3 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- ☆13Apr 11, 2019Updated 7 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆21Sep 23, 2025Updated 8 months ago
- ☆13Nov 26, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- An implementation of the Solubility Forecast Index (SFI)☆24Oct 6, 2025Updated 7 months ago
- ☆14Oct 16, 2022Updated 3 years ago
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Aug 6, 2021Updated 4 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆51Oct 21, 2022Updated 3 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 6 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- FragIt main repository☆28Mar 6, 2026Updated 2 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated last year
- 2018 RDKit UGM☆14Sep 28, 2018Updated 7 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 3 months ago
- Updated version of Silicos-it's shape-based alignment tool☆47Sep 27, 2025Updated 7 months ago
- ☆58Mar 14, 2024Updated 2 years ago
- Script to check required packages for Schrödinger suite on Linux machine☆13Mar 23, 2026Updated 2 months ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 years ago
- Python package for working with nucleic acid structural designs.☆16Apr 24, 2018Updated 8 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.