Schrödinger 2D Sketcher
☆28Apr 11, 2026Updated this week
Alternatives and similar repositories for sketcher
Users that are interested in sketcher are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆16Jan 30, 2026Updated 2 months ago
- Differentiably evaluate energies using SMIRNOFF force fields☆20Mar 13, 2026Updated last month
- Optimize classical force field parameters against reference data☆11Updated this week
- Perception and labelling of stereogenic centres in chemical structures☆20Jan 30, 2024Updated 2 years ago
- A library to align rigid molecules and clusters☆12Mar 17, 2026Updated 3 weeks ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A collection of virtual screening benchmarking☆12Sep 16, 2023Updated 2 years ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Feb 4, 2026Updated 2 months ago
- The Expanded Package for IET Solvation☆13Feb 6, 2025Updated last year
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated 2 years ago
- Printing text using protein structures☆14Aug 9, 2021Updated 4 years ago
- Plugins to enable using custom functional forms in SMIRNOFF based force fields☆11Apr 6, 2026Updated last week
- Endstate corrections from MM to QML potential☆14Feb 28, 2024Updated 2 years ago
- ☆11Sep 2, 2024Updated last year
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years 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.
- Bayesian Multistate Bennett Acceptance Ratio Method☆16Mar 17, 2026Updated 3 weeks ago
- OpenFF NAGL☆20Apr 8, 2026Updated last week
- ☆32Jan 12, 2026Updated 3 months ago
- An automated framework for generating optimized partial charges for molecules☆40Apr 6, 2026Updated last week
- ☆15Dec 4, 2023Updated 2 years ago
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆22Jun 2, 2023Updated 2 years ago
- Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.☆23May 29, 2025Updated 10 months ago
- ☆22Apr 20, 2024Updated last year
- ☆29Jun 28, 2025Updated 9 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆115Dec 5, 2025Updated 4 months ago
- Extensions to the Waf build system☆19Updated this week
- a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home☆35Updated this week
- ☆17Sep 14, 2022Updated 3 years ago
- Algorithms for various Network Layouts and Tooling for planning FE Calculations☆22Updated this week
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆75Apr 6, 2026Updated last week
- VMD plugin to calculate and visualize clusters of conformations for a trajectory☆23Oct 24, 2018Updated 7 years ago
- MACE-OFF23 models☆63Jan 29, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- SE(3)-equivariant point cloud networks for virtual screening☆24Apr 29, 2023Updated 2 years ago
- Script to check required packages for Schrödinger suite on Linux machine☆13Mar 23, 2026Updated 3 weeks ago
- A collection of cheminformatics scripts that use rdkit☆70Jul 1, 2022Updated 3 years ago
- phonetic similarity algorithms☆13Jun 19, 2018Updated 7 years ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆41Mar 30, 2026Updated 2 weeks ago
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30May 12, 2022Updated 3 years ago
- VTK for rust, proof of concept.☆12May 14, 2016Updated 9 years ago